N-[(4-tert-butylphenyl)methyl]cycloheptanamine

C18H29N — CID 28509997

IUPACN-[(4-tert-butylphenyl)methyl]cycloheptanamine
SMILESCC(C)(C)c1ccc(CNC2CCCCCC2)cc1
InChIInChI=1S/C18H29N/c1-18(2,3)16-12-10-15(11-13-16)14-19-17-8-6-4-5-7-9-17/h10-13,17,19H,4-9,14H2,1-3H3
InChIKeyIBHQHLNASZLISH-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.80
Rot. Bonds3

About N-[(4-tert-butylphenyl)methyl]cycloheptanamine

N-[(4-tert-butylphenyl)methyl]cycloheptanamine (PubChem CID 28509997) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]cycloheptanamine
PubChem CID28509997
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[(4-tert-butylphenyl)methyl]cycloheptanamine
SMILESCC(C)(C)c1ccc(CNC2CCCCCC2)cc1
InChIInChI=1S/C18H29N/c1-18(2,3)16-12-10-15(11-13-16)14-19-17-8-6-4-5-7-9-17/h10-13,17,19H,4-9,14H2,1-3H3
InChIKeyIBHQHLNASZLISH-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentanamine
CID 4264836
N-[(4-propylphenyl)methyl]cyclohexanamine
CID 94685509
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N-[(4-tert-butylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734413
N-[(4-methylsulfanylphenyl)methyl]cycloheptanamine
CID 4722425
benzene;N-benzylcyclohexanamine
CID 142622843
N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride
CID 17294485
N-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride
CID 17332385
N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride
CID 17331879
N-[(4-butylphenyl)methyl]cyclohexanamine
CID 70837938
N-[(5-tert-butyl-2-methylphenyl)methyl]cyclohexanamine
CID 82132708
4-[(cyclopentylamino)methyl]phenol
CID 3873791

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]cycloheptanamine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]cycloheptanamine (CID 28509997) is N-[(4-tert-butylphenyl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]cycloheptanamine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]cycloheptanamine is CC(C)(C)c1ccc(CNC2CCCCCC2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]cycloheptanamine?
The InChIKey is IBHQHLNASZLISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-18(2,3)16-12-10-15(11-13-16)14-19-17-8-6-4-5-7-9-17/h10-13,17,19H,4-9,14H2,1-3H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]cycloheptanamine?
N-[(4-tert-butylphenyl)methyl]cycloheptanamine has a molecular weight of 259.44 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]cycloheptanamine is sourced from PubChem (CID 28509997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).