(E)-N-(cyclohexylmethyl)-1-methyliminopent-2-en-2-amine

C13H24N2 — CID 143937071

IUPAC(E)-N-(cyclohexylmethyl)-1-methyliminopent-2-en-2-amine
SMILESCC/C=C(\C=N\C)NCC1CCCCC1
InChIInChI=1S/C13H24N2/c1-3-7-13(11-14-2)15-10-12-8-5-4-6-9-12/h7,11-12,15H,3-6,8-10H2,1-2H3/b13-7+,14-11+
InChIKeySRMVLPOANCASFW-FYCHQBGDSA-N
MW208.35 g/mol
LogP3.15
Rot. Bonds5

About (E)-N-(cyclohexylmethyl)-1-methyliminopent-2-en-2-amine

(E)-N-(cyclohexylmethyl)-1-methyliminopent-2-en-2-amine (PubChem CID 143937071) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (E)-N-(cyclohexylmethyl)-1-methyliminopent-2-en-2-amine.

Molecular Properties

Compound Name(E)-N-(cyclohexylmethyl)-1-methyliminopent-2-en-2-amine
PubChem CID143937071
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(E)-N-(cyclohexylmethyl)-1-methyliminopent-2-en-2-amine
SMILESCC/C=C(\C=N\C)NCC1CCCCC1
InChIInChI=1S/C13H24N2/c1-3-7-13(11-14-2)15-10-12-8-5-4-6-9-12/h7,11-12,15H,3-6,8-10H2,1-2H3/b13-7+,14-11+
InChIKeySRMVLPOANCASFW-FYCHQBGDSA-N
XLogP3.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(cyclohexylmethyl)-1-methyliminopent-2-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-tert-butylimino-1-cyclohexylprop-1-en-1-amine
CID 135076649
4-[[[(2Z,4E,7Z)-9-methyliminonona-2,4,7-trien-5-yl]amino]methyl]cyclohexan-1-amine
CID 89209337
3-methyl-N-[(Z)-pent-2-en-2-yl]cyclohexan-1-amine
CID 137410346
4-[(3R)-6-methyl-3,4-dihydropyridin-3-yl]azepane
CID 139423570
N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine
CID 143440305
ethane;N-[(3E)-2-methanimidoyl-6-methylhepta-1,3,5-trien-3-yl]-4-methylcyclohexan-1-amine
CID 145652736
6-methanimidoyl-N,3-dimethyl-4-propan-2-ylcyclohexen-1-amine
CID 146207418
ethane;N-[(Z)-1-piperidin-4-ylbut-1-enyl]ethanimine
CID 156796146
N'-(2,3-dihydropyridin-4-yl)-2-ethylbutane-1,4-diamine
CID 164149392
(E)-1-cyclohexyl-3-methyliminoprop-1-en-2-amine
CID 167167277
1-Cyclohexyl-3-methyliminoprop-1-en-1-amine
CID 174047714
6-Heptan-3-yl-1,2-dihydropyrimidin-2-amine
CID 175855411

Frequently Asked Questions

What is the IUPAC name of (E)-N-(cyclohexylmethyl)-1-methyliminopent-2-en-2-amine?
The IUPAC name of (E)-N-(cyclohexylmethyl)-1-methyliminopent-2-en-2-amine (CID 143937071) is (E)-N-(cyclohexylmethyl)-1-methyliminopent-2-en-2-amine.
What is the SMILES notation for (E)-N-(cyclohexylmethyl)-1-methyliminopent-2-en-2-amine?
The canonical SMILES for (E)-N-(cyclohexylmethyl)-1-methyliminopent-2-en-2-amine is CC/C=C(\C=N\C)NCC1CCCCC1.
What is the InChIKey of (E)-N-(cyclohexylmethyl)-1-methyliminopent-2-en-2-amine?
The InChIKey is SRMVLPOANCASFW-FYCHQBGDSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-7-13(11-14-2)15-10-12-8-5-4-6-9-12/h7,11-12,15H,3-6,8-10H2,1-2H3/b13-7+,14-11+.
What are the key properties of (E)-N-(cyclohexylmethyl)-1-methyliminopent-2-en-2-amine?
(E)-N-(cyclohexylmethyl)-1-methyliminopent-2-en-2-amine has a molecular weight of 208.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(cyclohexylmethyl)-1-methyliminopent-2-en-2-amine is sourced from PubChem (CID 143937071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).