1-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-amine

C15H31N — CID 63411887

IUPAC1-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)(CCC(C)(C)C)CC1
InChIInChI=1S/C15H31N/c1-12(2)13-6-8-15(16,9-7-13)11-10-14(3,4)5/h12-13H,6-11,16H2,1-5H3
InChIKeyUDOWTUCTCSZWQU-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.36
Rot. Bonds3

About 1-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-amine

1-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63411887) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID63411887
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name1-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)(CCC(C)(C)C)CC1
InChIInChI=1S/C15H31N/c1-12(2)13-6-8-15(16,9-7-13)11-10-14(3,4)5/h12-13H,6-11,16H2,1-5H3
InChIKeyUDOWTUCTCSZWQU-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-Aminopropan-2-yl)-1-methylcyclohexan-1-amine
CID 6650
4-tert-Butylcyclohexylamine
CID 79396
1,2,2-Trimethylcyclohexan-1-amine hydrochloride
CID 3021814
alpha,alpha-Dimethylcyclohexaneethanamine
CID 200032
Trimethylcyclohexylamine
CID 3021815
3,3,5,5-Tetramethyl-1-propylcyclohexan-1-amine
CID 10130368
1,3,3-Trimethyl-5-propylcyclohexan-1-amine;hydrochloride
CID 49863487
2-Cyclohexylpropan-2-amine hydrochloride
CID 47002866
(2S)-6-methyl-2-(4-methylcyclohexyl)heptan-2-amine
CID 134132065
4-(1,1-Dimethylpropyl)cyclohexanamine
CID 4962391
(1S,5R)-1,3,3,5-tetramethylcyclohexan-1-amine
CID 44193172
1-Amino-4-tert-butylcyclohexane-1-carbonitrile hydrochloride
CID 75413886

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-amine (CID 63411887) is 1-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)(CCC(C)(C)C)CC1.
What is the InChIKey of 1-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is UDOWTUCTCSZWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-12(2)13-6-8-15(16,9-7-13)11-10-14(3,4)5/h12-13H,6-11,16H2,1-5H3.
What are the key properties of 1-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-amine?
1-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63411887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).