N'-[2-[1-[6-[N-[2-(2-aminoethylamino)ethyl]-C-methylcarbonimidoyl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine

C17H33N7 — CID 6393957

IUPACN'-[2-[1-[6-[N-[2-(2-aminoethylamino)ethyl]-C-methylcarbonimidoyl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine
SMILESC/C(=N\CCNCCN)C1=CC=CC(/C(C)=N/CCNCCN)N1
InChIInChI=1S/C17H33N7/c1-14(22-12-10-20-8-6-18)16-4-3-5-17(24-16)15(2)23-13-11-21-9-7-19/h3-5,16,20-21,24H,6-13,18-19H2,1-2H3/b22-14+,23-15+
InChIKeyHXOIYNQSMCKRCB-HOFJZWJUSA-N
MW335.50 g/mol
LogP-0.58
Rot. Bonds12

About N'-[2-[1-[6-[N-[2-(2-aminoethylamino)ethyl]-C-methylcarbonimidoyl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine

N'-[2-[1-[6-[N-[2-(2-aminoethylamino)ethyl]-C-methylcarbonimidoyl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine (PubChem CID 6393957) has the molecular formula C17H33N7 and a molecular weight of 335.50 g/mol. Its IUPAC name is N'-[2-[1-[6-[N-[2-(2-aminoethylamino)ethyl]-C-methylcarbonimidoyl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[1-[6-[N-[2-(2-aminoethylamino)ethyl]-C-methylcarbonimidoyl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine
PubChem CID6393957
Molecular FormulaC17H33N7
Molecular Weight335.50 g/mol
Exact Mass335.28
IUPAC NameN'-[2-[1-[6-[N-[2-(2-aminoethylamino)ethyl]-C-methylcarbonimidoyl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine
SMILESC/C(=N\CCNCCN)C1=CC=CC(/C(C)=N/CCNCCN)N1
InChIInChI=1S/C17H33N7/c1-14(22-12-10-20-8-6-18)16-4-3-5-17(24-16)15(2)23-13-11-21-9-7-19/h3-5,16,20-21,24H,6-13,18-19H2,1-2H3/b22-14+,23-15+
InChIKeyHXOIYNQSMCKRCB-HOFJZWJUSA-N
XLogP-0.58
TPSA112.85 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 5-0.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N'-[2-[1-[6-[N-[2-(2-aminoethylamino)ethyl]-C-methylcarbonimidoyl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,4E)-N-[[(4Z)-4-butylidene-5-fluoro-3-[(Z)-prop-1-enyl]iminocyclohexa-1,5-dien-1-yl]methyl]-7-methyl-4-piperazin-1-ylnona-2,4,6-trien-3-amine
CID 168937126
3-fluoro-2-methyl-4-piperazin-1-yl-N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-1,2-dihydropyridin-5-amine
CID 176691486
(2E,4E,6E)-N-[[(4E)-4-butylidene-6-fluoro-3-[(Z)-prop-1-enyl]iminocyclohexa-1,5-dien-1-yl]methyl]-5,7-dimethyl-4-piperazin-1-ylnona-2,4,6-trien-3-amine
CID 176691520
(2E,4Z,6E)-5-fluoro-7-methyl-4-piperazin-1-yl-N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]nona-2,4,6-trien-3-amine
CID 176691534
[6-amino-3-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]diazenyl]-4-methylcyclohexa-2,4-dien-1-yl]-(3-amino-4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-[(3E,5Z)-hepta-1,3,5-trien-3-yl]azanium
CID 88934169
7,14-Dimethyl-5,12-dimethylidene-1-(5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,7,11,13-tetraen-1-yl)-1,4,8,11-tetrazacyclotetradeca-2,6,9,13-tetraene
CID 91069140
N'-[(2E,4Z)-6-iminohepta-2,4-dien-3-yl]-N-propylethane-1,2-diamine
CID 117908132
N'-[(3Z)-5-iminohexa-1,3-dien-2-yl]-N-propylethane-1,2-diamine
CID 118146500
2,5-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118491776
2-ethyl-5-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118493380
(4Z)-6-piperazin-1-ylhepta-4,6-dien-3-imine
CID 123790750
(3Z,5E,9E)-8-[(Z)-4-(butan-2-ylamino)but-2-en-2-yl]imino-N-ethyl-6-methylundeca-1,3,5,9-tetraen-2-amine
CID 132185571

Frequently Asked Questions

What is the IUPAC name of N'-[2-[1-[6-[N-[2-(2-aminoethylamino)ethyl]-C-methylcarbonimidoyl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[1-[6-[N-[2-(2-aminoethylamino)ethyl]-C-methylcarbonimidoyl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine (CID 6393957) is N'-[2-[1-[6-[N-[2-(2-aminoethylamino)ethyl]-C-methylcarbonimidoyl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[1-[6-[N-[2-(2-aminoethylamino)ethyl]-C-methylcarbonimidoyl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[1-[6-[N-[2-(2-aminoethylamino)ethyl]-C-methylcarbonimidoyl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine is C/C(=N\CCNCCN)C1=CC=CC(/C(C)=N/CCNCCN)N1.
What is the InChIKey of N'-[2-[1-[6-[N-[2-(2-aminoethylamino)ethyl]-C-methylcarbonimidoyl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine?
The InChIKey is HXOIYNQSMCKRCB-HOFJZWJUSA-N. The full InChI is InChI=1S/C17H33N7/c1-14(22-12-10-20-8-6-18)16-4-3-5-17(24-16)15(2)23-13-11-21-9-7-19/h3-5,16,20-21,24H,6-13,18-19H2,1-2H3/b22-14+,23-15+.
What are the key properties of N'-[2-[1-[6-[N-[2-(2-aminoethylamino)ethyl]-C-methylcarbonimidoyl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine?
N'-[2-[1-[6-[N-[2-(2-aminoethylamino)ethyl]-C-methylcarbonimidoyl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine has a molecular weight of 335.50 g/mol, XLogP of -0.58, 12 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[1-[6-[N-[2-(2-aminoethylamino)ethyl]-C-methylcarbonimidoyl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 6393957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).