5,5-dimethyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine

C17H35N — CID 114209968

IUPAC5,5-dimethyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine
SMILESCC(C)C1CCC(C(N)CCCC(C)(C)C)CC1
InChIInChI=1S/C17H35N/c1-13(2)14-8-10-15(11-9-14)16(18)7-6-12-17(3,4)5/h13-16H,6-12,18H2,1-5H3
InChIKeyUZVVKXOWOPXNPU-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.99
Rot. Bonds5

About 5,5-dimethyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine

5,5-dimethyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine (PubChem CID 114209968) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 5,5-dimethyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine.

Molecular Properties

Compound Name5,5-dimethyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine
PubChem CID114209968
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name5,5-dimethyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine
SMILESCC(C)C1CCC(C(N)CCCC(C)(C)C)CC1
InChIInChI=1S/C17H35N/c1-13(2)14-8-10-15(11-9-14)16(18)7-6-12-17(3,4)5/h13-16H,6-12,18H2,1-5H3
InChIKeyUZVVKXOWOPXNPU-UHFFFAOYSA-N
XLogP4.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-6,6-dimethylheptan-1-amine
CID 64504875
5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine
CID 83161046
[5,5-dimethyl-1-(4-propan-2-ylcyclohexyl)hexyl]hydrazine
CID 114211474
4,4-dimethyl-1-(4-methylcyclohexyl)pentan-1-amine
CID 63415730
1-[4-[(1S)-1-aminoethyl]cyclohexyl]pentan-1-amine
CID 144564960
1-cyclopropyl-4,4,4-trifluorobutan-1-amine
CID 64565355
2-amino-6,6-dimethylheptan-1-ol
CID 88746496
3-amino-3-(4-tert-butylcyclohexyl)propan-1-ol
CID 104575909
1-cyclopropyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103497340
(5-amino-5-cyclopropyl-2-methylpentan-2-yl) carbamate
CID 174597226
1-cyclopropyl-4,4-dimethylpentan-1-ol
CID 62606898
1-cyclooctyl-5-methylhexan-1-amine
CID 83162244

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine?
The IUPAC name of 5,5-dimethyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine (CID 114209968) is 5,5-dimethyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine.
What is the SMILES notation for 5,5-dimethyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine?
The canonical SMILES for 5,5-dimethyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine is CC(C)C1CCC(C(N)CCCC(C)(C)C)CC1.
What is the InChIKey of 5,5-dimethyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine?
The InChIKey is UZVVKXOWOPXNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-13(2)14-8-10-15(11-9-14)16(18)7-6-12-17(3,4)5/h13-16H,6-12,18H2,1-5H3.
What are the key properties of 5,5-dimethyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine?
5,5-dimethyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine is sourced from PubChem (CID 114209968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).