3-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylheptan-1-amine

C19H39NO — CID 116769495

IUPAC3-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylheptan-1-amine
SMILESCCCCC(CC)CC(NC)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C19H39NO/c1-7-9-10-16(8-2)15-17(20-5)19(21-6)13-11-18(3,4)12-14-19/h16-17,20H,7-15H2,1-6H3
InChIKeyOOXAWWIOQPSTMM-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.17
Rot. Bonds9

About 3-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylheptan-1-amine

3-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylheptan-1-amine (PubChem CID 116769495) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 3-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylheptan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylheptan-1-amine
PubChem CID116769495
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name3-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylheptan-1-amine
SMILESCCCCC(CC)CC(NC)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C19H39NO/c1-7-9-10-16(8-2)15-17(20-5)19(21-6)13-11-18(3,4)12-14-19/h16-17,20H,7-15H2,1-6H3
InChIKeyOOXAWWIOQPSTMM-UHFFFAOYSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-dimethylcyclohexyl)-3-ethyl-N-methylheptan-1-amine
CID 65391623
2-cyclobutyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
CID 116769375
1-[3-ethyl-1-(methylamino)heptyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79063346
[3-ethyl-1-(1-methylcyclohexyl)heptyl]hydrazine
CID 106831118
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-N-methylbutan-1-amine
CID 114857241
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine
CID 116769301
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine
CID 116769287
1-[(2-ethylhexylamino)methyl]-4,4-dimethylcyclohexan-1-ol
CID 65121102
3-ethyl-1-(4-ethylcyclohexyl)-N-methylheptan-1-amine
CID 65392509
[3-ethyl-1-(1-ethylcyclopentyl)heptyl]hydrazine
CID 105288344
N,3-diethyl-1-(1-methoxycycloheptyl)pentan-1-amine
CID 116770390
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-propylhex-4-yn-1-amine
CID 116769667

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylheptan-1-amine?
The IUPAC name of 3-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylheptan-1-amine (CID 116769495) is 3-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylheptan-1-amine.
What is the SMILES notation for 3-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylheptan-1-amine?
The canonical SMILES for 3-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylheptan-1-amine is CCCCC(CC)CC(NC)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of 3-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylheptan-1-amine?
The InChIKey is OOXAWWIOQPSTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-7-9-10-16(8-2)15-17(20-5)19(21-6)13-11-18(3,4)12-14-19/h16-17,20H,7-15H2,1-6H3.
What are the key properties of 3-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylheptan-1-amine?
3-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylheptan-1-amine has a molecular weight of 297.53 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylheptan-1-amine is sourced from PubChem (CID 116769495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).