N-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine

C17H27N — CID 43317309

IUPACN-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine
SMILESCC(C)(C)c1ccc(CNCC2CCCC2)cc1
InChIInChI=1S/C17H27N/c1-17(2,3)16-10-8-15(9-11-16)13-18-12-14-6-4-5-7-14/h8-11,14,18H,4-7,12-13H2,1-3H3
InChIKeyLASNCEJTKHOHBE-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.26
Rot. Bonds4

About N-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine

N-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine (PubChem CID 43317309) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine
PubChem CID43317309
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine
SMILESCC(C)(C)c1ccc(CNCC2CCCC2)cc1
InChIInChI=1S/C17H27N/c1-17(2,3)16-10-8-15(9-11-16)13-18-12-14-6-4-5-7-14/h8-11,14,18H,4-7,12-13H2,1-3H3
InChIKeyLASNCEJTKHOHBE-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine
CID 43298526
1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine
CID 79978986
N-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine
CID 43317301
N-[[4-(4-tert-butylphenyl)phenyl]methyl]-1-(4-propylcyclohexyl)methanamine;ethane;molecular hydrogen
CID 142228903
4-[(cyclohexylmethylamino)methyl]aniline
CID 68506062
4-[(cyclooctylmethylamino)methyl]benzoic acid
CID 122030513
4-[(cyclobutylmethylamino)methyl]-N-methylaniline
CID 115212787
N-[[4-[(cyclopentylmethylamino)methyl]phenyl]methyl]-N-ethylethanamine
CID 62070861
N-benzyl-1-cyclobutylmethanamine;methanol
CID 170726729
1-cyclohexyl-N-[(4-phenylphenyl)methyl]methanamine
CID 43215570
N-[(4-tert-butylphenyl)methyl]cycloheptanamine
CID 28509997
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43220454

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine (CID 43317309) is N-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine is CC(C)(C)c1ccc(CNCC2CCCC2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine?
The InChIKey is LASNCEJTKHOHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-17(2,3)16-10-8-15(9-11-16)13-18-12-14-6-4-5-7-14/h8-11,14,18H,4-7,12-13H2,1-3H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine?
N-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine has a molecular weight of 245.41 g/mol, XLogP of 4.26, 4 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]-1-cyclopentylmethanamine is sourced from PubChem (CID 43317309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).