4-tert-butyl-3,3-dimethylcyclohexan-1-amine

C12H25N — CID 123956056

IUPAC4-tert-butyl-3,3-dimethylcyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)CC1(C)C
InChIInChI=1S/C12H25N/c1-11(2,3)10-7-6-9(13)8-12(10,4)5/h9-10H,6-8,13H2,1-5H3
InChIKeyXFOHTZPKWIQKIW-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.19
Rot. Bonds

About 4-tert-butyl-3,3-dimethylcyclohexan-1-amine

4-tert-butyl-3,3-dimethylcyclohexan-1-amine (PubChem CID 123956056) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 4-tert-butyl-3,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-3,3-dimethylcyclohexan-1-amine
PubChem CID123956056
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name4-tert-butyl-3,3-dimethylcyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)CC1(C)C
InChIInChI=1S/C12H25N/c1-11(2,3)10-7-6-9(13)8-12(10,4)5/h9-10H,6-8,13H2,1-5H3
InChIKeyXFOHTZPKWIQKIW-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethylcyclohexane-1,4-diamine
CID 20547249
4-[(4-amino-2,2-dimethylcyclohexyl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 140541641
1-[(1R,4S)-4-tert-butyl-3,3-dimethylcyclohexyl]-4-methylpiperidine
CID 70971558
2-tert-butyl-1,1,5,5-tetramethylcyclohexane
CID 91142167
1,2-ditert-butyl-1-methylcyclopropane
CID 58388728
(1R,3S,4S)-3-amino-4-tert-butyl-3-methylcyclohexane-1-carboxylic acid
CID 101110280
4-tert-butyl-3,3-dimethylcyclohexan-1-one
CID 168743359
1,1,2-tritert-butylcyclopropane
CID 12714136
2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylcyclopropane
CID 123830542
trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol
CID 171582108
3,3-dimethylcyclobutan-1-amine
CID 14988402
4-tert-butyl-3,3-dimethylpyrrolidine
CID 121207422

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,3-dimethylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-3,3-dimethylcyclohexan-1-amine (CID 123956056) is 4-tert-butyl-3,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-3,3-dimethylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-3,3-dimethylcyclohexan-1-amine is CC(C)(C)C1CCC(N)CC1(C)C.
What is the InChIKey of 4-tert-butyl-3,3-dimethylcyclohexan-1-amine?
The InChIKey is XFOHTZPKWIQKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-11(2,3)10-7-6-9(13)8-12(10,4)5/h9-10H,6-8,13H2,1-5H3.
What are the key properties of 4-tert-butyl-3,3-dimethylcyclohexan-1-amine?
4-tert-butyl-3,3-dimethylcyclohexan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 123956056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).