1-cyclohexyl-1-methoxy-N-methylhept-6-en-2-amine

C15H29NO — CID 116771512

IUPAC1-cyclohexyl-1-methoxy-N-methylhept-6-en-2-amine
SMILESC=CCCCC(NC)C(OC)C1CCCCC1
InChIInChI=1S/C15H29NO/c1-4-5-7-12-14(16-2)15(17-3)13-10-8-6-9-11-13/h4,13-16H,1,5-12H2,2-3H3
InChIKeyRDTCZXJDVMWWDR-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.53
Rot. Bonds8

About 1-cyclohexyl-1-methoxy-N-methylhept-6-en-2-amine

1-cyclohexyl-1-methoxy-N-methylhept-6-en-2-amine (PubChem CID 116771512) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-cyclohexyl-1-methoxy-N-methylhept-6-en-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-1-methoxy-N-methylhept-6-en-2-amine
PubChem CID116771512
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-cyclohexyl-1-methoxy-N-methylhept-6-en-2-amine
SMILESC=CCCCC(NC)C(OC)C1CCCCC1
InChIInChI=1S/C15H29NO/c1-4-5-7-12-14(16-2)15(17-3)13-10-8-6-9-11-13/h4,13-16H,1,5-12H2,2-3H3
InChIKeyRDTCZXJDVMWWDR-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-1-methoxy-N-methylhept-6-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

(3S,4S)-5-cyclohexyl-4-(propan-2-ylamino)pent-1-en-3-ol
CID 57918983
5-Cyclohexyl-4-(propan-2-ylamino)pent-1-en-3-ol
CID 57918995
2-methoxy-N-methyl-1-[(1S)-6-methylcyclohex-2-en-1-yl]cyclohexan-1-amine
CID 71181943
N,2,5-trimethyl-6-prop-2-enyloxan-3-amine
CID 123611757
(4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine
CID 126687218
2-[Cyclohexyl(propan-2-yloxy)methyl]-1,2,3,4-tetrahydropyridine
CID 129055712
4-[(4-Tert-butylcyclohexyl)methyl]-2-ethyl-3-methoxy-1,2,3,4-tetrahydropyridine
CID 141868032
(2R)-N-methyl-2-(3-methyloxiran-2-yl)dec-9-en-2-amine
CID 145564552
N,3,7-trimethyl-9-methylidene-5-pentadec-1-en-2-yloxydocosan-6-amine
CID 169573831
(E)-N-(4-cyclohexyl-3-methoxybutan-2-yl)pent-1-en-1-amine
CID 169607559
(3S,5R)-6-ethyl-2-prop-2-enyl-5-propyloxan-3-amine
CID 170204912
N-(cyclohex-3-en-1-ylmethyl)-2-methoxycyclohexan-1-amine
CID 61951497

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methoxy-N-methylhept-6-en-2-amine?
The IUPAC name of 1-cyclohexyl-1-methoxy-N-methylhept-6-en-2-amine (CID 116771512) is 1-cyclohexyl-1-methoxy-N-methylhept-6-en-2-amine.
What is the SMILES notation for 1-cyclohexyl-1-methoxy-N-methylhept-6-en-2-amine?
The canonical SMILES for 1-cyclohexyl-1-methoxy-N-methylhept-6-en-2-amine is C=CCCCC(NC)C(OC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methoxy-N-methylhept-6-en-2-amine?
The InChIKey is RDTCZXJDVMWWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-5-7-12-14(16-2)15(17-3)13-10-8-6-9-11-13/h4,13-16H,1,5-12H2,2-3H3.
What are the key properties of 1-cyclohexyl-1-methoxy-N-methylhept-6-en-2-amine?
1-cyclohexyl-1-methoxy-N-methylhept-6-en-2-amine has a molecular weight of 239.40 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methoxy-N-methylhept-6-en-2-amine is sourced from PubChem (CID 116771512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).