1-cyclopropyl-3-(2-methylpropyl)oct-2-en-1-imine

C15H27N — CID 91503531

IUPAC1-cyclopropyl-3-(2-methylpropyl)oct-2-en-1-imine
SMILES[H]/N=C(\C=C(CCCCC)CC(C)C)C1CC1
InChIInChI=1S/C15H27N/c1-4-5-6-7-13(10-12(2)3)11-15(16)14-8-9-14/h11-12,14,16H,4-10H2,1-3H3/b13-11?,16-15+
InChIKeyGPYDVSXRWRTPEW-ZIDPDMSHSA-N
MW221.39 g/mol
LogP4.97
Rot. Bonds8

About 1-cyclopropyl-3-(2-methylpropyl)oct-2-en-1-imine

1-cyclopropyl-3-(2-methylpropyl)oct-2-en-1-imine (PubChem CID 91503531) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-methylpropyl)oct-2-en-1-imine.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-methylpropyl)oct-2-en-1-imine
PubChem CID91503531
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name1-cyclopropyl-3-(2-methylpropyl)oct-2-en-1-imine
SMILES[H]/N=C(\C=C(CCCCC)CC(C)C)C1CC1
InChIInChI=1S/C15H27N/c1-4-5-6-7-13(10-12(2)3)11-15(16)14-8-9-14/h11-12,14,16H,4-10H2,1-3H3/b13-11?,16-15+
InChIKeyGPYDVSXRWRTPEW-ZIDPDMSHSA-N
XLogP4.97
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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CID 91340707
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2-Ethyl-4-methylcyclohex-2-en-1-imine
CID 57087859
2-Heptan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69973378
1-(2,5-Dimethylcyclohexa-1,3-dien-1-yl)butan-1-imine
CID 88907679
(2S)-1-cyclohex-3-en-1-yl-2-methylbutan-1-imine
CID 89058429
4-(2-Methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine
CID 89084617
(E)-5-ethyl-6-methylundec-6-en-4-imine
CID 89117109
(E)-2,6-dimethyloct-6-en-3-imine
CID 89688388
(Z)-4,5-dimethylhept-5-en-2-imine
CID 89961034
(4Z)-2,5-dimethyl-4-[(2-methylcyclohexen-1-yl)methylidene]hexan-3-imine
CID 89989510
3,5-Dimethylcyclohept-2-en-1-imine
CID 90778792

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-methylpropyl)oct-2-en-1-imine?
The IUPAC name of 1-cyclopropyl-3-(2-methylpropyl)oct-2-en-1-imine (CID 91503531) is 1-cyclopropyl-3-(2-methylpropyl)oct-2-en-1-imine.
What is the SMILES notation for 1-cyclopropyl-3-(2-methylpropyl)oct-2-en-1-imine?
The canonical SMILES for 1-cyclopropyl-3-(2-methylpropyl)oct-2-en-1-imine is [H]/N=C(\C=C(CCCCC)CC(C)C)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2-methylpropyl)oct-2-en-1-imine?
The InChIKey is GPYDVSXRWRTPEW-ZIDPDMSHSA-N. The full InChI is InChI=1S/C15H27N/c1-4-5-6-7-13(10-12(2)3)11-15(16)14-8-9-14/h11-12,14,16H,4-10H2,1-3H3/b13-11?,16-15+.
What are the key properties of 1-cyclopropyl-3-(2-methylpropyl)oct-2-en-1-imine?
1-cyclopropyl-3-(2-methylpropyl)oct-2-en-1-imine has a molecular weight of 221.39 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-methylpropyl)oct-2-en-1-imine is sourced from PubChem (CID 91503531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).