N'-(3-methyl-5-methyliminopent-3-en-2-yl)ethane-1,2-diamine

C9H19N3 — CID 123781675

IUPACN'-(3-methyl-5-methyliminopent-3-en-2-yl)ethane-1,2-diamine
SMILESC/N=C/C=C(C)C(C)NCCN
InChIInChI=1S/C9H19N3/c1-8(4-6-11-3)9(2)12-7-5-10/h4,6,9,12H,5,7,10H2,1-3H3/b8-4?,11-6+
InChIKeyXKIIXPDEYRMVOE-LKIIXXQHSA-N
MW169.27 g/mol
LogP0.57
Rot. Bonds5

About N'-(3-methyl-5-methyliminopent-3-en-2-yl)ethane-1,2-diamine

N'-(3-methyl-5-methyliminopent-3-en-2-yl)ethane-1,2-diamine (PubChem CID 123781675) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N'-(3-methyl-5-methyliminopent-3-en-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methyl-5-methyliminopent-3-en-2-yl)ethane-1,2-diamine
PubChem CID123781675
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN'-(3-methyl-5-methyliminopent-3-en-2-yl)ethane-1,2-diamine
SMILESC/N=C/C=C(C)C(C)NCCN
InChIInChI=1S/C9H19N3/c1-8(4-6-11-3)9(2)12-7-5-10/h4,6,9,12H,5,7,10H2,1-3H3/b8-4?,11-6+
InChIKeyXKIIXPDEYRMVOE-LKIIXXQHSA-N
XLogP0.57
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine
CID 89030889
N-methyl-3-(methyliminomethyl)hex-3-en-2-amine
CID 123203381
2,3,7,9a-tetrahydro-1H-1,4-benzodiazepine
CID 123447639
N-[1-[2-(ethylamino)ethylimino]propan-2-yl]-2,8-dimethyldeca-2,7-dien-4-amine
CID 123688446
(Z)-5-[(Z)-but-2-enyl]imino-N-methylpent-3-en-2-amine
CID 129043125
N-[(3-methyl-2H-pyrrol-5-yl)methyl]propan-2-amine
CID 129255826
(3S)-N-(2-iminoethyl)-5-methylhex-4-en-3-amine
CID 130320077
N-ethyl-4-methyl-2-propan-2-yliminopent-3-en-1-amine
CID 130433850
N-ethyl-2-[[(Z)-pent-2-enylidene]amino]ethanamine
CID 132002063
N-ethyl-N'-[(2-methyl-4H-azepin-6-yl)methyl]ethane-1,2-diamine
CID 134406309
N-ethyl-N'-[(Z)-5-iminopent-3-enyl]ethane-1,2-diamine
CID 137402233
N-ethyl-5-(ethylideneamino)pent-3-en-2-amine
CID 138511224

Frequently Asked Questions

What is the IUPAC name of N'-(3-methyl-5-methyliminopent-3-en-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(3-methyl-5-methyliminopent-3-en-2-yl)ethane-1,2-diamine (CID 123781675) is N'-(3-methyl-5-methyliminopent-3-en-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-methyl-5-methyliminopent-3-en-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-methyl-5-methyliminopent-3-en-2-yl)ethane-1,2-diamine is C/N=C/C=C(C)C(C)NCCN.
What is the InChIKey of N'-(3-methyl-5-methyliminopent-3-en-2-yl)ethane-1,2-diamine?
The InChIKey is XKIIXPDEYRMVOE-LKIIXXQHSA-N. The full InChI is InChI=1S/C9H19N3/c1-8(4-6-11-3)9(2)12-7-5-10/h4,6,9,12H,5,7,10H2,1-3H3/b8-4?,11-6+.
What are the key properties of N'-(3-methyl-5-methyliminopent-3-en-2-yl)ethane-1,2-diamine?
N'-(3-methyl-5-methyliminopent-3-en-2-yl)ethane-1,2-diamine has a molecular weight of 169.27 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyl-5-methyliminopent-3-en-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 123781675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).