2-methyloct-5-en-4-imine

C9H17N — CID 90985822

IUPAC2-methyloct-5-en-4-imine
SMILES[H]/N=C(\C=CCC)CC(C)C
InChIInChI=1S/C9H17N/c1-4-5-6-9(10)7-8(2)3/h5-6,8,10H,4,7H2,1-3H3/b6-5?,10-9+
InChIKeyNPTMZUFNNDCZNU-ZFZICBQDSA-N
MW139.24 g/mol
LogP3.02
Rot. Bonds4

About 2-methyloct-5-en-4-imine

2-methyloct-5-en-4-imine (PubChem CID 90985822) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-methyloct-5-en-4-imine.

Molecular Properties

Compound Name2-methyloct-5-en-4-imine
PubChem CID90985822
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-methyloct-5-en-4-imine
SMILES[H]/N=C(\C=CCC)CC(C)C
InChIInChI=1S/C9H17N/c1-4-5-6-9(10)7-8(2)3/h5-6,8,10H,4,7H2,1-3H3/b6-5?,10-9+
InChIKeyNPTMZUFNNDCZNU-ZFZICBQDSA-N
XLogP3.02
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
6-Fluoro-4-methylcyclohex-2-en-1-imine
CID 91163671
(5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine
CID 123873008
7-Fluoro-2,4-dimethylhept-5-en-3-imine
CID 132194355
(Z)-2-methylhex-4-en-3-imine;1,1,1-trifluorobutane
CID 156717512
1-Cyclohexyl-imino-2-butene
CID 129765474
1-Ethyl-4-imino-2,5-cyclohexadiene
CID 129808996
2,4,6-Trimethylcyclohexa-2,4-dien-1-imine
CID 18538402
(E)-hept-2-en-4-imine
CID 20315733
6-Methyl-3-propan-2-ylidenehept-5-en-2-imine
CID 21319963
6,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 57034986
4-(2-Methylidenebutyl)cyclohexa-2,5-dien-1-imine
CID 60131096

Frequently Asked Questions

What is the IUPAC name of 2-methyloct-5-en-4-imine?
The IUPAC name of 2-methyloct-5-en-4-imine (CID 90985822) is 2-methyloct-5-en-4-imine.
What is the SMILES notation for 2-methyloct-5-en-4-imine?
The canonical SMILES for 2-methyloct-5-en-4-imine is [H]/N=C(\C=CCC)CC(C)C.
What is the InChIKey of 2-methyloct-5-en-4-imine?
The InChIKey is NPTMZUFNNDCZNU-ZFZICBQDSA-N. The full InChI is InChI=1S/C9H17N/c1-4-5-6-9(10)7-8(2)3/h5-6,8,10H,4,7H2,1-3H3/b6-5?,10-9+.
What are the key properties of 2-methyloct-5-en-4-imine?
2-methyloct-5-en-4-imine has a molecular weight of 139.24 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloct-5-en-4-imine is sourced from PubChem (CID 90985822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).