2-tert-butyl-1-propylcyclohexan-1-amine

C13H27N — CID 43809442

IUPAC2-tert-butyl-1-propylcyclohexan-1-amine
SMILESCCCC1(N)CCCCC1C(C)(C)C
InChIInChI=1S/C13H27N/c1-5-9-13(14)10-7-6-8-11(13)12(2,3)4/h11H,5-10,14H2,1-4H3
InChIKeyHQYNDUSBWBXULY-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.72
Rot. Bonds2

About 2-tert-butyl-1-propylcyclohexan-1-amine

2-tert-butyl-1-propylcyclohexan-1-amine (PubChem CID 43809442) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2-tert-butyl-1-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-1-propylcyclohexan-1-amine
PubChem CID43809442
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2-tert-butyl-1-propylcyclohexan-1-amine
SMILESCCCC1(N)CCCCC1C(C)(C)C
InChIInChI=1S/C13H27N/c1-5-9-13(14)10-7-6-8-11(13)12(2,3)4/h11H,5-10,14H2,1-4H3
InChIKeyHQYNDUSBWBXULY-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-2-tert-butylcyclohexan-1-amine
CID 63408346
2-tert-butyl-1-(2-methoxyethyl)cyclohexan-1-amine
CID 82239429
2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine
CID 63408085
2-(1-amino-2-tert-butylcyclohexyl)acetic acid
CID 64663875
2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine
CID 63408173
1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine
CID 60799064
2-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 60797418
2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 82869975
2-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 63408216
2-tert-butyl-1-cycloheptylcyclohexan-1-amine
CID 82931284
2-tert-butyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744341
2-tert-butyl-1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105373066

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-propylcyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-1-propylcyclohexan-1-amine (CID 43809442) is 2-tert-butyl-1-propylcyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-1-propylcyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-1-propylcyclohexan-1-amine is CCCC1(N)CCCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-propylcyclohexan-1-amine?
The InChIKey is HQYNDUSBWBXULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-9-13(14)10-7-6-8-11(13)12(2,3)4/h11H,5-10,14H2,1-4H3.
What are the key properties of 2-tert-butyl-1-propylcyclohexan-1-amine?
2-tert-butyl-1-propylcyclohexan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-propylcyclohexan-1-amine is sourced from PubChem (CID 43809442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).