1-(3,4-dimethylcyclohexyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine

C17H35NO — CID 116724854

IUPAC1-(3,4-dimethylcyclohexyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCCNC(C1CCC(C)C(C)C1)C(OC)C(C)(C)C
InChIInChI=1S/C17H35NO/c1-8-18-15(16(19-7)17(4,5)6)14-10-9-12(2)13(3)11-14/h12-16,18H,8-11H2,1-7H3
InChIKeyDJQNXVZEFHIITC-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.10
Rot. Bonds5

About 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine

1-(3,4-dimethylcyclohexyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine (PubChem CID 116724854) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
PubChem CID116724854
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name1-(3,4-dimethylcyclohexyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCCNC(C1CCC(C)C(C)C1)C(OC)C(C)(C)C
InChIInChI=1S/C17H35NO/c1-8-18-15(16(19-7)17(4,5)6)14-10-9-12(2)13(3)11-14/h12-16,18H,8-11H2,1-7H3
InChIKeyDJQNXVZEFHIITC-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720679
1-(3,4-dimethylcyclohexyl)-N,2-diethyl-2-methoxybutan-1-amine
CID 116761248
4-(3,4-dimethylcyclohexyl)-N-ethylpentan-2-amine
CID 64739292
1-cyclobutyl-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine
CID 116725873
1-(3,4-dimethylcyclohexyl)-2-methoxy-N-methylpentan-1-amine
CID 116718955
2-methoxy-3,3-dimethyl-1-(oxan-4-yl)-N-propylbutan-1-amine
CID 116725101
1-(3,4-dimethylcyclohexyl)-N-ethylbut-3-en-1-amine
CID 116660864
1-(3,4-dimethylcyclohexyl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 104989443
2-cyclohexyl-1-(3,4-dimethylcyclohexyl)-N-ethylethanamine
CID 104989257
[1-(3,5-dimethylcyclohexyl)-2-methoxy-3,3-dimethylbutyl]hydrazine
CID 105273536
N-ethyl-2-methoxy-1-(4-methylcyclohexyl)propan-1-amine
CID 79616589
1-(3,4-dimethylcyclohexyl)-N-ethyl-3-methylsulfanylpropan-1-amine
CID 105154521

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine (CID 116724854) is 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine is CCNC(C1CCC(C)C(C)C1)C(OC)C(C)(C)C.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine?
The InChIKey is DJQNXVZEFHIITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-8-18-15(16(19-7)17(4,5)6)14-10-9-12(2)13(3)11-14/h12-16,18H,8-11H2,1-7H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine?
1-(3,4-dimethylcyclohexyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 116724854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).