N-[(4-tert-butyl-2-phenylcyclohexyl)methyl]cyclopropanamine

C20H31N — CID 81023628

IUPACN-[(4-tert-butyl-2-phenylcyclohexyl)methyl]cyclopropanamine
SMILESCC(C)(C)C1CCC(CNC2CC2)C(c2ccccc2)C1
InChIInChI=1S/C20H31N/c1-20(2,3)17-10-9-16(14-21-18-11-12-18)19(13-17)15-7-5-4-6-8-15/h4-8,16-19,21H,9-14H2,1-3H3
InChIKeyHBYSIDGAMGCVMA-UHFFFAOYSA-N
MW285.48 g/mol
LogP4.98
Rot. Bonds4

About N-[(4-tert-butyl-2-phenylcyclohexyl)methyl]cyclopropanamine

N-[(4-tert-butyl-2-phenylcyclohexyl)methyl]cyclopropanamine (PubChem CID 81023628) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is N-[(4-tert-butyl-2-phenylcyclohexyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-tert-butyl-2-phenylcyclohexyl)methyl]cyclopropanamine
PubChem CID81023628
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC NameN-[(4-tert-butyl-2-phenylcyclohexyl)methyl]cyclopropanamine
SMILESCC(C)(C)C1CCC(CNC2CC2)C(c2ccccc2)C1
InChIInChI=1S/C20H31N/c1-20(2,3)17-10-9-16(14-21-18-11-12-18)19(13-17)15-7-5-4-6-8-15/h4-8,16-19,21H,9-14H2,1-3H3
InChIKeyHBYSIDGAMGCVMA-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-tert-butyl-2-(3-methylthiophen-2-yl)cyclohexyl]methyl]cyclopropanamine
CID 81023751
1-[4-tert-butyl-2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine
CID 81025663
N-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine
CID 81022944
N-[[2-(3-chlorophenyl)-4-propylcyclohexyl]methyl]cyclopropanamine
CID 81026555
1-[4-tert-butyl-2-(furan-3-yl)cyclohexyl]-N-methylmethanamine
CID 81030983
N-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81029797
1-[4-tert-butyl-2-(3,5-dimethylphenyl)cyclohexyl]-N-methylmethanamine
CID 81025372
N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]cyclopropanamine
CID 81031141
[4-tert-butyl-2-(4-chlorophenyl)cyclohexyl]methanamine
CID 81012614
1-[4-tert-butyl-2-(3,5-difluorophenyl)cyclohexyl]-N-methylmethanamine
CID 81025455
N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine
CID 81030395
ethyl 4-[[(1S,2R)-2-phenylcyclopropyl]methylamino]piperidine-1-carboxylate
CID 97056265

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-2-phenylcyclohexyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-tert-butyl-2-phenylcyclohexyl)methyl]cyclopropanamine (CID 81023628) is N-[(4-tert-butyl-2-phenylcyclohexyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-tert-butyl-2-phenylcyclohexyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-tert-butyl-2-phenylcyclohexyl)methyl]cyclopropanamine is CC(C)(C)C1CCC(CNC2CC2)C(c2ccccc2)C1.
What is the InChIKey of N-[(4-tert-butyl-2-phenylcyclohexyl)methyl]cyclopropanamine?
The InChIKey is HBYSIDGAMGCVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-20(2,3)17-10-9-16(14-21-18-11-12-18)19(13-17)15-7-5-4-6-8-15/h4-8,16-19,21H,9-14H2,1-3H3.
What are the key properties of N-[(4-tert-butyl-2-phenylcyclohexyl)methyl]cyclopropanamine?
N-[(4-tert-butyl-2-phenylcyclohexyl)methyl]cyclopropanamine has a molecular weight of 285.48 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-2-phenylcyclohexyl)methyl]cyclopropanamine is sourced from PubChem (CID 81023628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).