N'-ethyl-N'-(2-imino-5-methylhexa-3,5-dienyl)ethane-1,2-diamine

C11H21N3 — CID 123209322

IUPACN'-ethyl-N'-(2-imino-5-methylhexa-3,5-dienyl)ethane-1,2-diamine
SMILES[H]/N=C(\C=CC(=C)C)CN(CC)CCN
InChIInChI=1S/C11H21N3/c1-4-14(8-7-12)9-11(13)6-5-10(2)3/h5-6,13H,2,4,7-9,12H2,1,3H3/b6-5?,13-11+
InChIKeyJZTAZPOUGGNHQJ-PLYMDNEQSA-N
MW195.31 g/mol
LogP1.42
Rot. Bonds7

About N'-ethyl-N'-(2-imino-5-methylhexa-3,5-dienyl)ethane-1,2-diamine

N'-ethyl-N'-(2-imino-5-methylhexa-3,5-dienyl)ethane-1,2-diamine (PubChem CID 123209322) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N'-ethyl-N'-(2-imino-5-methylhexa-3,5-dienyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-imino-5-methylhexa-3,5-dienyl)ethane-1,2-diamine
PubChem CID123209322
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN'-ethyl-N'-(2-imino-5-methylhexa-3,5-dienyl)ethane-1,2-diamine
SMILES[H]/N=C(\C=CC(=C)C)CN(CC)CCN
InChIInChI=1S/C11H21N3/c1-4-14(8-7-12)9-11(13)6-5-10(2)3/h5-6,13H,2,4,7-9,12H2,1,3H3/b6-5?,13-11+
InChIKeyJZTAZPOUGGNHQJ-PLYMDNEQSA-N
XLogP1.42
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
N'-methyl-N'-[(5-methyl-2H-pyrrol-4-yl)methyl]ethane-1,2-diamine
CID 121442679
N-methyl-2-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]ethanamine
CID 123635406
(2E,4Z)-6-imino-2-methyl-N,N'-dipropylhepta-2,4-diene-1,7-diamine
CID 124112563
N'-(2,3-dihydropyridin-6-ylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 126708180
N'-[(2E,4Z)-2,3-dimethylhepta-2,4-dienyl]-N'-methylethane-1,2-diamine
CID 134513859
N'-[(2E,4Z)-6-iminohepta-2,4-dien-3-yl]-N-methyl-N'-propylethane-1,2-diamine
CID 139538976
(10Z,12E)-7,13-dimethyl-1,4,7-triazacyclotetradeca-10,12-dien-9-imine
CID 141878696
(3Z)-N-ethyl-2-methyliminohexa-3,5-dien-1-amine
CID 142057474
(6Z)-5-methyl-8-methylidene-2,3,9,10-tetrahydro-1H-1,4-diazecine
CID 156166766
N'-[(2E,4Z)-6-imino-3-methylhexa-2,4-dienyl]-N-methyl-N'-propylethane-1,2-diamine
CID 156421026

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-imino-5-methylhexa-3,5-dienyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(2-imino-5-methylhexa-3,5-dienyl)ethane-1,2-diamine (CID 123209322) is N'-ethyl-N'-(2-imino-5-methylhexa-3,5-dienyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-imino-5-methylhexa-3,5-dienyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(2-imino-5-methylhexa-3,5-dienyl)ethane-1,2-diamine is [H]/N=C(\C=CC(=C)C)CN(CC)CCN.
What is the InChIKey of N'-ethyl-N'-(2-imino-5-methylhexa-3,5-dienyl)ethane-1,2-diamine?
The InChIKey is JZTAZPOUGGNHQJ-PLYMDNEQSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-14(8-7-12)9-11(13)6-5-10(2)3/h5-6,13H,2,4,7-9,12H2,1,3H3/b6-5?,13-11+.
What are the key properties of N'-ethyl-N'-(2-imino-5-methylhexa-3,5-dienyl)ethane-1,2-diamine?
N'-ethyl-N'-(2-imino-5-methylhexa-3,5-dienyl)ethane-1,2-diamine has a molecular weight of 195.31 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-imino-5-methylhexa-3,5-dienyl)ethane-1,2-diamine is sourced from PubChem (CID 123209322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).