4-tert-butyl-N-(3-methylcyclopentyl)cyclohexan-1-amine

C16H31N — CID 114544060

IUPAC4-tert-butyl-N-(3-methylcyclopentyl)cyclohexan-1-amine
SMILESCC1CCC(NC2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C16H31N/c1-12-5-8-15(11-12)17-14-9-6-13(7-10-14)16(2,3)4/h12-15,17H,5-11H2,1-4H3
InChIKeyWMCAFLDNNZUOOP-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.37
Rot. Bonds2

About 4-tert-butyl-N-(3-methylcyclopentyl)cyclohexan-1-amine

4-tert-butyl-N-(3-methylcyclopentyl)cyclohexan-1-amine (PubChem CID 114544060) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-methylcyclopentyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(3-methylcyclopentyl)cyclohexan-1-amine
PubChem CID114544060
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name4-tert-butyl-N-(3-methylcyclopentyl)cyclohexan-1-amine
SMILESCC1CCC(NC2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C16H31N/c1-12-5-8-15(11-12)17-14-9-6-13(7-10-14)16(2,3)4/h12-15,17H,5-11H2,1-4H3
InChIKeyWMCAFLDNNZUOOP-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-N-methylcyclohexan-1-amine
CID 15921596
4-tert-butyl-N-propan-2-ylcyclohexan-1-amine
CID 9120262
2-Azabicyclo(3.2.1)octane, 3,4,4-trimethyl-
CID 46833
N-methyl-4-(propan-2-yl)cyclohexan-1-amine
CID 20616125
4-tert-butyl-N-(2-fluoroethyl)cyclohexan-1-amine
CID 145514868
4-tert-butyl-N-(1-fluoropropan-2-yl)cyclohexan-1-amine
CID 167068247
4-tert-butyl-N-(2-fluoropropyl)cyclohexan-1-amine
CID 167068263
N-ethyl-endo-bornylamine
CID 20356324
N-propyl-endo-bornylamine
CID 129820608
N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 80227203
N-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 80228718
N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 80230265

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-methylcyclopentyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-(3-methylcyclopentyl)cyclohexan-1-amine (CID 114544060) is 4-tert-butyl-N-(3-methylcyclopentyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(3-methylcyclopentyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-(3-methylcyclopentyl)cyclohexan-1-amine is CC1CCC(NC2CCC(C(C)(C)C)CC2)C1.
What is the InChIKey of 4-tert-butyl-N-(3-methylcyclopentyl)cyclohexan-1-amine?
The InChIKey is WMCAFLDNNZUOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-12-5-8-15(11-12)17-14-9-6-13(7-10-14)16(2,3)4/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 4-tert-butyl-N-(3-methylcyclopentyl)cyclohexan-1-amine?
4-tert-butyl-N-(3-methylcyclopentyl)cyclohexan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-methylcyclopentyl)cyclohexan-1-amine is sourced from PubChem (CID 114544060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).