4-tert-butyl-N-phenylcycloheptan-1-amine

C17H27N — CID 65090391

IUPAC4-tert-butyl-N-phenylcycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(Nc2ccccc2)CC1
InChIInChI=1S/C17H27N/c1-17(2,3)14-8-7-11-16(13-12-14)18-15-9-5-4-6-10-15/h4-6,9-10,14,16,18H,7-8,11-13H2,1-3H3
InChIKeyAUUIALGTIYTWFI-UHFFFAOYSA-N
MW245.41 g/mol
LogP5.09
Rot. Bonds2

About 4-tert-butyl-N-phenylcycloheptan-1-amine

4-tert-butyl-N-phenylcycloheptan-1-amine (PubChem CID 65090391) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-tert-butyl-N-phenylcycloheptan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-phenylcycloheptan-1-amine
PubChem CID65090391
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name4-tert-butyl-N-phenylcycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(Nc2ccccc2)CC1
InChIInChI=1S/C17H27N/c1-17(2,3)14-8-7-11-16(13-12-14)18-15-9-5-4-6-10-15/h4-6,9-10,14,16,18H,7-8,11-13H2,1-3H3
InChIKeyAUUIALGTIYTWFI-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-tert-butylcyclohexyl)-4-[[4-[(4-tert-butylcyclohexyl)amino]phenyl]methyl]aniline
CID 135199670
4-ethyl-N-phenylcycloheptan-1-amine
CID 65082236
4-tert-butyl-N-(2,6-difluorophenyl)cycloheptan-1-amine
CID 65090003
4-[(4-tert-butylcyclohexyl)amino]benzoic acid
CID 43139224
N-cyclopropylaniline;hydrochloride
CID 44717153
3-bromo-N-(4-tert-butylcyclohexyl)aniline
CID 28546222
4-tert-butyl-N-[2-(methoxymethyl)phenyl]cycloheptan-1-amine
CID 65089478
4-tert-butyl-N-(2,3-difluorophenyl)cycloheptan-1-amine
CID 65089879
5-[(4-tert-butylcycloheptyl)amino]-2-methoxyphenol
CID 65089489
4-tert-butyl-N-(2-phenylpropyl)cycloheptan-1-amine
CID 65090143
4-tert-butyl-N-(3-fluoro-2-methylphenyl)cycloheptan-1-amine
CID 65089978
4-tert-butyl-N-(2-phenoxyethyl)cycloheptan-1-amine
CID 65089931

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-phenylcycloheptan-1-amine?
The IUPAC name of 4-tert-butyl-N-phenylcycloheptan-1-amine (CID 65090391) is 4-tert-butyl-N-phenylcycloheptan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-phenylcycloheptan-1-amine?
The canonical SMILES for 4-tert-butyl-N-phenylcycloheptan-1-amine is CC(C)(C)C1CCCC(Nc2ccccc2)CC1.
What is the InChIKey of 4-tert-butyl-N-phenylcycloheptan-1-amine?
The InChIKey is AUUIALGTIYTWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-17(2,3)14-8-7-11-16(13-12-14)18-15-9-5-4-6-10-15/h4-6,9-10,14,16,18H,7-8,11-13H2,1-3H3.
What are the key properties of 4-tert-butyl-N-phenylcycloheptan-1-amine?
4-tert-butyl-N-phenylcycloheptan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 5.09, 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-phenylcycloheptan-1-amine is sourced from PubChem (CID 65090391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).