4-tert-butyl-1-(4,4-dimethylpentyl)cyclohexan-1-amine

C17H35N — CID 114209791

IUPAC4-tert-butyl-1-(4,4-dimethylpentyl)cyclohexan-1-amine
SMILESCC(C)(C)CCCC1(N)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H35N/c1-15(2,3)10-7-11-17(18)12-8-14(9-13-17)16(4,5)6/h14H,7-13,18H2,1-6H3
InChIKeyNMFQQYDOBJGIMR-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.14
Rot. Bonds3

About 4-tert-butyl-1-(4,4-dimethylpentyl)cyclohexan-1-amine

4-tert-butyl-1-(4,4-dimethylpentyl)cyclohexan-1-amine (PubChem CID 114209791) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 4-tert-butyl-1-(4,4-dimethylpentyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-1-(4,4-dimethylpentyl)cyclohexan-1-amine
PubChem CID114209791
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name4-tert-butyl-1-(4,4-dimethylpentyl)cyclohexan-1-amine
SMILESCC(C)(C)CCCC1(N)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H35N/c1-15(2,3)10-7-11-17(18)12-8-14(9-13-17)16(4,5)6/h14H,7-13,18H2,1-6H3
InChIKeyNMFQQYDOBJGIMR-UHFFFAOYSA-N
XLogP5.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-1-ethylcyclohexan-1-amine
CID 43809409
4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-amine
CID 65090155
1-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-amine
CID 63411887
1-(4-methylpentyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 83158414
1-(3,3-dimethylbutyl)cycloheptan-1-amine
CID 62622521
4-butyl-1-hexylcyclohexan-1-amine
CID 65020342
4-tert-butyl-1-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 55096392
4-tert-butyl-1-(4-ethylcyclohexyl)cyclohexan-1-amine
CID 64750147
4-(aminomethyl)-1-pentylcyclohexan-1-amine
CID 69228724
4-tert-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine
CID 65020416
4-tert-butyl-1-(4-tert-butyl-1-methoxycyclohexyl)-1-methoxycyclohexane
CID 178089646
4-(3,3-dimethylbutyl)oxan-4-amine
CID 63220278

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(4,4-dimethylpentyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-1-(4,4-dimethylpentyl)cyclohexan-1-amine (CID 114209791) is 4-tert-butyl-1-(4,4-dimethylpentyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-1-(4,4-dimethylpentyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-1-(4,4-dimethylpentyl)cyclohexan-1-amine is CC(C)(C)CCCC1(N)CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-(4,4-dimethylpentyl)cyclohexan-1-amine?
The InChIKey is NMFQQYDOBJGIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-15(2,3)10-7-11-17(18)12-8-14(9-13-17)16(4,5)6/h14H,7-13,18H2,1-6H3.
What are the key properties of 4-tert-butyl-1-(4,4-dimethylpentyl)cyclohexan-1-amine?
4-tert-butyl-1-(4,4-dimethylpentyl)cyclohexan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(4,4-dimethylpentyl)cyclohexan-1-amine is sourced from PubChem (CID 114209791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).