2-imino-N-(2-iminopent-3-enyl)pent-3-en-1-amine

C10H17N3 — CID 123169571

IUPAC2-imino-N-(2-iminopent-3-enyl)pent-3-en-1-amine
SMILES[H]/N=C(\C=CC)CNC/C(C=CC)=N/[H]
InChIInChI=1S/C10H17N3/c1-3-5-9(11)7-13-8-10(12)6-4-2/h3-6,11-13H,7-8H2,1-2H3/b5-3?,6-4?,11-9+,12-10+
InChIKeyBZJGHDQSIQTRQC-ZQDLLBKTSA-N
MW179.27 g/mol
LogP1.77
Rot. Bonds6

About 2-imino-N-(2-iminopent-3-enyl)pent-3-en-1-amine

2-imino-N-(2-iminopent-3-enyl)pent-3-en-1-amine (PubChem CID 123169571) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-imino-N-(2-iminopent-3-enyl)pent-3-en-1-amine.

Molecular Properties

Compound Name2-imino-N-(2-iminopent-3-enyl)pent-3-en-1-amine
PubChem CID123169571
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-imino-N-(2-iminopent-3-enyl)pent-3-en-1-amine
SMILES[H]/N=C(\C=CC)CNC/C(C=CC)=N/[H]
InChIInChI=1S/C10H17N3/c1-3-5-9(11)7-13-8-10(12)6-4-2/h3-6,11-13H,7-8H2,1-2H3/b5-3?,6-4?,11-9+,12-10+
InChIKeyBZJGHDQSIQTRQC-ZQDLLBKTSA-N
XLogP1.77
TPSA59.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 22857106
(Z)-N-propyl-4-propyliminopent-2-en-2-amine
CID 102026407
(Z)-N-prop-2-enyl-4-prop-2-enyliminopent-2-en-2-amine
CID 25137124
2,6-dihydro-1H-pyridin-1-ium-3-imine
CID 57053248
N-methyl-1-(2H-pyrrol-5-yl)methanamine
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(4E)-N-(Butan-2-yl)-4-[(butan-2-yl)imino]pent-2-en-2-amine
CID 71427987
N-ethyl-4-ethyliminopent-2-en-2-amine
CID 72526443
N-ethyl-4-methyliminopent-2-en-2-amine
CID 76225419
(Z)-4-methylimino-N-prop-2-enylpent-2-en-2-amine
CID 89792414
1-(4H-azepin-7-yl)-N-methylmethanamine
CID 91307733
N-ethyl-4-ethyliminocyclohexa-2,5-dien-1-amine
CID 118199222
N-methyl-2-methyliminopent-3-en-1-amine
CID 123205396

Frequently Asked Questions

What is the IUPAC name of 2-imino-N-(2-iminopent-3-enyl)pent-3-en-1-amine?
The IUPAC name of 2-imino-N-(2-iminopent-3-enyl)pent-3-en-1-amine (CID 123169571) is 2-imino-N-(2-iminopent-3-enyl)pent-3-en-1-amine.
What is the SMILES notation for 2-imino-N-(2-iminopent-3-enyl)pent-3-en-1-amine?
The canonical SMILES for 2-imino-N-(2-iminopent-3-enyl)pent-3-en-1-amine is [H]/N=C(\C=CC)CNC/C(C=CC)=N/[H].
What is the InChIKey of 2-imino-N-(2-iminopent-3-enyl)pent-3-en-1-amine?
The InChIKey is BZJGHDQSIQTRQC-ZQDLLBKTSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-5-9(11)7-13-8-10(12)6-4-2/h3-6,11-13H,7-8H2,1-2H3/b5-3?,6-4?,11-9+,12-10+.
What are the key properties of 2-imino-N-(2-iminopent-3-enyl)pent-3-en-1-amine?
2-imino-N-(2-iminopent-3-enyl)pent-3-en-1-amine has a molecular weight of 179.27 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N-(2-iminopent-3-enyl)pent-3-en-1-amine is sourced from PubChem (CID 123169571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).