3-ethenylimino-N-ethylpent-4-en-1-amine;molecular hydrogen

C9H18N2 — CID 144767469

IUPAC3-ethenylimino-N-ethylpent-4-en-1-amine;molecular hydrogen
SMILESC=C/N=C(\C=C)CCNCC.[H][H]
InChIInChI=1S/C9H16N2.H2/c1-4-9(11-6-3)7-8-10-5-2;/h4,6,10H,1,3,5,7-8H2,2H3;1H/b11-9+;
InChIKeyFOUALVYPUOKMSV-LBEJWNQZSA-N
MW154.26 g/mol
LogP2.00
Rot. Bonds6

About 3-ethenylimino-N-ethylpent-4-en-1-amine;molecular hydrogen

3-ethenylimino-N-ethylpent-4-en-1-amine;molecular hydrogen (PubChem CID 144767469) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-ethenylimino-N-ethylpent-4-en-1-amine;molecular hydrogen.

Molecular Properties

Compound Name3-ethenylimino-N-ethylpent-4-en-1-amine;molecular hydrogen
PubChem CID144767469
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-ethenylimino-N-ethylpent-4-en-1-amine;molecular hydrogen
SMILESC=C/N=C(\C=C)CCNCC.[H][H]
InChIInChI=1S/C9H16N2.H2/c1-4-9(11-6-3)7-8-10-5-2;/h4,6,10H,1,3,5,7-8H2,2H3;1H/b11-9+;
InChIKeyFOUALVYPUOKMSV-LBEJWNQZSA-N
XLogP2.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-(but-3-en-2-ylideneamino)-N-propylbutan-1-amine
CID 54075907
2,3-dihydro-1H-pyridin-1-ium-4-imine
CID 57146957
N-methyl-1-(3H-pyrrol-2-yl)methanamine
CID 58168955
2-ethenylimino-N-propan-2-ylbut-3-en-1-amine
CID 89129347
N'-(3-ethyliminopent-1-en-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 117852688
3-ethylimino-N-methylpent-1-en-2-amine
CID 117852698
N-methyl-2-[(E)-3-(methylamino)prop-1-enyl]iminobut-3-en-1-amine
CID 122522672
1-N,2-N-dimethyl-3-methyliminopent-4-ene-1,2-diamine
CID 123196625
N-methyl-4-methyliminohex-5-en-3-amine
CID 123612125
N-methyl-2-[(Z)-pent-1-enyl]iminopropan-1-amine
CID 126762207
(E)-1-(pent-1-en-3-ylideneamino)-2-N-propan-2-ylprop-1-ene-1,2-diamine
CID 129204126
(Z)-3-propan-2-yliminopent-1-en-1-amine
CID 130193662

Frequently Asked Questions

What is the IUPAC name of 3-ethenylimino-N-ethylpent-4-en-1-amine;molecular hydrogen?
The IUPAC name of 3-ethenylimino-N-ethylpent-4-en-1-amine;molecular hydrogen (CID 144767469) is 3-ethenylimino-N-ethylpent-4-en-1-amine;molecular hydrogen.
What is the SMILES notation for 3-ethenylimino-N-ethylpent-4-en-1-amine;molecular hydrogen?
The canonical SMILES for 3-ethenylimino-N-ethylpent-4-en-1-amine;molecular hydrogen is C=C/N=C(\C=C)CCNCC.[H][H].
What is the InChIKey of 3-ethenylimino-N-ethylpent-4-en-1-amine;molecular hydrogen?
The InChIKey is FOUALVYPUOKMSV-LBEJWNQZSA-N. The full InChI is InChI=1S/C9H16N2.H2/c1-4-9(11-6-3)7-8-10-5-2;/h4,6,10H,1,3,5,7-8H2,2H3;1H/b11-9+;.
What are the key properties of 3-ethenylimino-N-ethylpent-4-en-1-amine;molecular hydrogen?
3-ethenylimino-N-ethylpent-4-en-1-amine;molecular hydrogen has a molecular weight of 154.26 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylimino-N-ethylpent-4-en-1-amine;molecular hydrogen is sourced from PubChem (CID 144767469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).