4-tert-butyl-3-cyclopropylcyclohexan-1-amine

C13H25N — CID 165498686

IUPAC4-tert-butyl-3-cyclopropylcyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)CC1C1CC1
InChIInChI=1S/C13H25N/c1-13(2,3)12-7-6-10(14)8-11(12)9-4-5-9/h9-12H,4-8,14H2,1-3H3
InChIKeyZHFZEDLMTQDFOB-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.19
Rot. Bonds1

About 4-tert-butyl-3-cyclopropylcyclohexan-1-amine

4-tert-butyl-3-cyclopropylcyclohexan-1-amine (PubChem CID 165498686) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 4-tert-butyl-3-cyclopropylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-3-cyclopropylcyclohexan-1-amine
PubChem CID165498686
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name4-tert-butyl-3-cyclopropylcyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)CC1C1CC1
InChIInChI=1S/C13H25N/c1-13(2,3)12-7-6-10(14)8-11(12)9-4-5-9/h9-12H,4-8,14H2,1-3H3
InChIKeyZHFZEDLMTQDFOB-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxycyclohexyl)cycloheptan-1-ol
CID 123258751
2-tert-butylbicyclo[3.2.1]octane
CID 21352041
3-(3-aminocyclopentyl)cyclopentan-1-amine;methane
CID 160598150
4-tert-butyl-5-methylcyclononan-1-amine
CID 175635509
1-tert-butyl-2-cyclopentylcyclopentane
CID 58689261
(1S,3R,6R)-bicyclo[4.1.0]heptan-3-amine
CID 125040803
trans-(1R,2S)-2-tert-butylcyclopropan-1-amine;hydrochloride
CID 139022348
(2R)-2-tert-butylbicyclo[2.2.2]octane
CID 153289737
1-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;4-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;6-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;6-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;7-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 158093658
cis-(1R,2S)-2-cyclopropylcyclopropan-1-amine
CID 91654438
4-[2-(4-amino-3-tert-butylcyclohexyl)propan-2-yl]-2-tert-butylcyclohexan-1-amine
CID 19805682
5-tert-butyl-4-methylcyclooctan-1-amine
CID 175635893

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-cyclopropylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-3-cyclopropylcyclohexan-1-amine (CID 165498686) is 4-tert-butyl-3-cyclopropylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-3-cyclopropylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-3-cyclopropylcyclohexan-1-amine is CC(C)(C)C1CCC(N)CC1C1CC1.
What is the InChIKey of 4-tert-butyl-3-cyclopropylcyclohexan-1-amine?
The InChIKey is ZHFZEDLMTQDFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-13(2,3)12-7-6-10(14)8-11(12)9-4-5-9/h9-12H,4-8,14H2,1-3H3.
What are the key properties of 4-tert-butyl-3-cyclopropylcyclohexan-1-amine?
4-tert-butyl-3-cyclopropylcyclohexan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-cyclopropylcyclohexan-1-amine is sourced from PubChem (CID 165498686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).