1-(3,4-dimethylcyclohexyl)-N-ethyl-3,5,5-trimethylhexan-1-amine

C19H39N — CID 104989443

IUPAC1-(3,4-dimethylcyclohexyl)-N-ethyl-3,5,5-trimethylhexan-1-amine
SMILESCCNC(CC(C)CC(C)(C)C)C1CCC(C)C(C)C1
InChIInChI=1S/C19H39N/c1-8-20-18(11-14(2)13-19(5,6)7)17-10-9-15(3)16(4)12-17/h14-18,20H,8-13H2,1-7H3
InChIKeyPFGMZXHWJFZKIB-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.50
Rot. Bonds6

About 1-(3,4-dimethylcyclohexyl)-N-ethyl-3,5,5-trimethylhexan-1-amine

1-(3,4-dimethylcyclohexyl)-N-ethyl-3,5,5-trimethylhexan-1-amine (PubChem CID 104989443) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-N-ethyl-3,5,5-trimethylhexan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-N-ethyl-3,5,5-trimethylhexan-1-amine
PubChem CID104989443
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name1-(3,4-dimethylcyclohexyl)-N-ethyl-3,5,5-trimethylhexan-1-amine
SMILESCCNC(CC(C)CC(C)(C)C)C1CCC(C)C(C)C1
InChIInChI=1S/C19H39N/c1-8-20-18(11-14(2)13-19(5,6)7)17-10-9-15(3)16(4)12-17/h14-18,20H,8-13H2,1-7H3
InChIKeyPFGMZXHWJFZKIB-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cycloheptyl-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 105027808
1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine
CID 104989433
2-cyclohexyl-1-(3,4-dimethylcyclohexyl)-N-ethylethanamine
CID 104989257
1-(3,4-dimethylcyclohexyl)-N-ethylbut-3-en-1-amine
CID 116660864
4-(3,4-dimethylcyclohexyl)-N-ethylpentan-2-amine
CID 64739292
1-(3,4-dimethylcyclohexyl)-N-ethyl-3-methylsulfanylpropan-1-amine
CID 105154521
1-(3,4-dimethylcyclohexyl)-3,3-dimethylbutan-1-amine
CID 64738046
1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 104994066
1-cyclobutyl-N-ethyl-4,6,6-trimethylheptan-2-amine
CID 115863733
(1-cyclohexyl-3,5,5-trimethylhexyl)hydrazine
CID 105282017
1-(3,4-dimethylcyclohexyl)-4-methoxy-N,3-dimethylbutan-1-amine
CID 105154616
1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105157171

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-ethyl-3,5,5-trimethylhexan-1-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-ethyl-3,5,5-trimethylhexan-1-amine (CID 104989443) is 1-(3,4-dimethylcyclohexyl)-N-ethyl-3,5,5-trimethylhexan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-N-ethyl-3,5,5-trimethylhexan-1-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-N-ethyl-3,5,5-trimethylhexan-1-amine is CCNC(CC(C)CC(C)(C)C)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-N-ethyl-3,5,5-trimethylhexan-1-amine?
The InChIKey is PFGMZXHWJFZKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-8-20-18(11-14(2)13-19(5,6)7)17-10-9-15(3)16(4)12-17/h14-18,20H,8-13H2,1-7H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-N-ethyl-3,5,5-trimethylhexan-1-amine?
1-(3,4-dimethylcyclohexyl)-N-ethyl-3,5,5-trimethylhexan-1-amine has a molecular weight of 281.53 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-N-ethyl-3,5,5-trimethylhexan-1-amine is sourced from PubChem (CID 104989443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).