(E)-N-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]but-2-en-1-imine

C14H23N — CID 5370279

IUPAC(E)-N-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]but-2-en-1-imine
SMILESC/C=C/C=N/C(C)(C)C1CC=C(C)CC1
InChIInChI=1S/C14H23N/c1-5-6-11-15-14(3,4)13-9-7-12(2)8-10-13/h5-7,11,13H,8-10H2,1-4H3/b6-5+,15-11+
InChIKeyKHZFQQSDZRNQDY-GCXOIEGYSA-N
MW205.34 g/mol
LogP4.16
Rot. Bonds3

About (E)-N-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]but-2-en-1-imine

(E)-N-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]but-2-en-1-imine (PubChem CID 5370279) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (E)-N-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]but-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]but-2-en-1-imine
PubChem CID5370279
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(E)-N-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]but-2-en-1-imine
SMILESC/C=C/C=N/C(C)(C)C1CC=C(C)CC1
InChIInChI=1S/C14H23N/c1-5-6-11-15-14(3,4)13-9-7-12(2)8-10-13/h5-7,11,13H,8-10H2,1-4H3/b6-5+,15-11+
InChIKeyKHZFQQSDZRNQDY-GCXOIEGYSA-N
XLogP4.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]methanimine
CID 15173163
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CID 85526511
N-cyclohexyl-1-(4,6-dimethylcyclohex-3-en-1-yl)methanimine
CID 23391680
2-Non-6-en-4-yl-2-propylpyrrole
CID 56981173
2-(3-Ethyl-7-methyloctan-4-yl)-2-propylpyrrole
CID 57023728
2-Butyl-2-(2,8-dimethylnonan-5-yl)pyrrole
CID 57119908
2-(2,8-Dimethylnonan-5-yl)-2-ethylpyrrole
CID 57120345
2-(2,8-Dimethylnonan-5-yl)-2-pentylpyrrole
CID 57136239
2-Hexan-3-yl-2-pentylpyrrole
CID 57206465
2-(2,8-Dimethylnonan-5-yl)-2-propylpyrrole
CID 57206629
2-Propyl-2-(2,6,7-trimethylnonan-5-yl)pyrrole
CID 57272584
6,7-Dimethyl-4a,5,8,8a-tetrahydroquinoline
CID 57614241

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]but-2-en-1-imine?
The IUPAC name of (E)-N-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]but-2-en-1-imine (CID 5370279) is (E)-N-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]but-2-en-1-imine.
What is the SMILES notation for (E)-N-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]but-2-en-1-imine?
The canonical SMILES for (E)-N-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]but-2-en-1-imine is C/C=C/C=N/C(C)(C)C1CC=C(C)CC1.
What is the InChIKey of (E)-N-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]but-2-en-1-imine?
The InChIKey is KHZFQQSDZRNQDY-GCXOIEGYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-6-11-15-14(3,4)13-9-7-12(2)8-10-13/h5-7,11,13H,8-10H2,1-4H3/b6-5+,15-11+.
What are the key properties of (E)-N-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]but-2-en-1-imine?
(E)-N-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]but-2-en-1-imine has a molecular weight of 205.34 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]but-2-en-1-imine is sourced from PubChem (CID 5370279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).