N'-[2-[1-[6-[1-(2-aminoethyl)-2-methylimidazolidin-2-yl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine

C17H33N7 — CID 6393959

IUPACN'-[2-[1-[6-[1-(2-aminoethyl)-2-methylimidazolidin-2-yl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine
SMILESC/C(=N\CCNCCN)C1C=CC=C(C2(C)NCCN2CCN)N1
InChIInChI=1S/C17H33N7/c1-14(21-10-9-20-8-6-18)15-4-3-5-16(23-15)17(2)22-11-13-24(17)12-7-19/h3-5,15,20,22-23H,6-13,18-19H2,1-2H3/b21-14+
InChIKeySKXJZWZOUIGMFL-KGENOOAVSA-N
MW335.50 g/mol
LogP-1.01
Rot. Bonds9

About N'-[2-[1-[6-[1-(2-aminoethyl)-2-methylimidazolidin-2-yl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine

N'-[2-[1-[6-[1-(2-aminoethyl)-2-methylimidazolidin-2-yl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine (PubChem CID 6393959) has the molecular formula C17H33N7 and a molecular weight of 335.50 g/mol. Its IUPAC name is N'-[2-[1-[6-[1-(2-aminoethyl)-2-methylimidazolidin-2-yl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[1-[6-[1-(2-aminoethyl)-2-methylimidazolidin-2-yl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine
PubChem CID6393959
Molecular FormulaC17H33N7
Molecular Weight335.50 g/mol
Exact Mass335.28
IUPAC NameN'-[2-[1-[6-[1-(2-aminoethyl)-2-methylimidazolidin-2-yl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine
SMILESC/C(=N\CCNCCN)C1C=CC=C(C2(C)NCCN2CCN)N1
InChIInChI=1S/C17H33N7/c1-14(21-10-9-20-8-6-18)15-4-3-5-16(23-15)17(2)22-11-13-24(17)12-7-19/h3-5,15,20,22-23H,6-13,18-19H2,1-2H3/b21-14+
InChIKeySKXJZWZOUIGMFL-KGENOOAVSA-N
XLogP-1.01
TPSA103.73 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 5-1.01
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'}

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Related Compounds

(1Z,14Z)-7-[(1Z)-buta-1,3-dienyl]-3-ethenyl-5,13-diethyl-11-methyl-3,5,8,11,13,18-hexazabicyclo[13.2.1]octadeca-1,7,14,16-tetraene;ethane
CID 142140542
(3E,5Z)-2-N-methyl-4-N-(5-methyl-3-pyrrolidin-1-yl-1,2-dihydropyridin-6-yl)-4-N-propylhepta-3,5-diene-2,4-diamine
CID 166886712
N'-[2-[1-[6-[N-[2-(2-aminoethylamino)ethyl]-C-methylcarbonimidoyl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine
CID 6393957
copper N'-[2-[1-[6-[N-[2-(2-aminoethylamino)ethyl]-C-methylcarbonimidoyl]-2H-pyridin-1-id-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine
CID 50933177
N'-[2-[1-[6-[1-(2-aminoethyl)-2-methylimidazolidin-2-yl]-2H-pyridin-1-id-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine;nickel(2+)
CID 50933178
7-[(1Z)-buta-1,3-dienyl]-3-ethenyl-5,13-diethyl-11-methyl-3,5,8,11,13,18-hexazabicyclo[13.2.1]octadeca-1,7,14,16-tetraene
CID 142140543

Frequently Asked Questions

What is the IUPAC name of N'-[2-[1-[6-[1-(2-aminoethyl)-2-methylimidazolidin-2-yl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[1-[6-[1-(2-aminoethyl)-2-methylimidazolidin-2-yl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine (CID 6393959) is N'-[2-[1-[6-[1-(2-aminoethyl)-2-methylimidazolidin-2-yl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[1-[6-[1-(2-aminoethyl)-2-methylimidazolidin-2-yl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[1-[6-[1-(2-aminoethyl)-2-methylimidazolidin-2-yl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine is C/C(=N\CCNCCN)C1C=CC=C(C2(C)NCCN2CCN)N1.
What is the InChIKey of N'-[2-[1-[6-[1-(2-aminoethyl)-2-methylimidazolidin-2-yl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine?
The InChIKey is SKXJZWZOUIGMFL-KGENOOAVSA-N. The full InChI is InChI=1S/C17H33N7/c1-14(21-10-9-20-8-6-18)15-4-3-5-16(23-15)17(2)22-11-13-24(17)12-7-19/h3-5,15,20,22-23H,6-13,18-19H2,1-2H3/b21-14+.
What are the key properties of N'-[2-[1-[6-[1-(2-aminoethyl)-2-methylimidazolidin-2-yl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine?
N'-[2-[1-[6-[1-(2-aminoethyl)-2-methylimidazolidin-2-yl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine has a molecular weight of 335.50 g/mol, XLogP of -1.01, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[1-[6-[1-(2-aminoethyl)-2-methylimidazolidin-2-yl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 6393959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).