N-[[4-[(cyclopentylmethylamino)methyl]phenyl]methyl]-N-ethylethanamine

C18H30N2 — CID 62070861

IUPACN-[[4-[(cyclopentylmethylamino)methyl]phenyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1ccc(CNCC2CCCC2)cc1
InChIInChI=1S/C18H30N2/c1-3-20(4-2)15-18-11-9-17(10-12-18)14-19-13-16-7-5-6-8-16/h9-12,16,19H,3-8,13-15H2,1-2H3
InChIKeyYRTKCZVEIFRTKR-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.81
Rot. Bonds8

About N-[[4-[(cyclopentylmethylamino)methyl]phenyl]methyl]-N-ethylethanamine

N-[[4-[(cyclopentylmethylamino)methyl]phenyl]methyl]-N-ethylethanamine (PubChem CID 62070861) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[4-[(cyclopentylmethylamino)methyl]phenyl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[4-[(cyclopentylmethylamino)methyl]phenyl]methyl]-N-ethylethanamine
PubChem CID62070861
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[4-[(cyclopentylmethylamino)methyl]phenyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1ccc(CNCC2CCCC2)cc1
InChIInChI=1S/C18H30N2/c1-3-20(4-2)15-18-11-9-17(10-12-18)14-19-13-16-7-5-6-8-16/h9-12,16,19H,3-8,13-15H2,1-2H3
InChIKeyYRTKCZVEIFRTKR-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 80553737
N'-benzyl-N-(cyclohexylmethyl)-N'-ethylethane-1,2-diamine
CID 63503034
N-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine
CID 43317309
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
4-[(cyclohexylmethylamino)methyl]aniline
CID 68506062
4-[(cyclobutylmethylamino)methyl]-N-methylaniline
CID 115212787
N-(cyclopentylmethyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]aniline
CID 71192487
N-benzyl-1-cyclobutylmethanamine;methanol
CID 170726729
1-cyclohexyl-N-[(4-phenylphenyl)methyl]methanamine
CID 43215570
N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63939310

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(cyclopentylmethylamino)methyl]phenyl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[4-[(cyclopentylmethylamino)methyl]phenyl]methyl]-N-ethylethanamine (CID 62070861) is N-[[4-[(cyclopentylmethylamino)methyl]phenyl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[4-[(cyclopentylmethylamino)methyl]phenyl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[4-[(cyclopentylmethylamino)methyl]phenyl]methyl]-N-ethylethanamine is CCN(CC)Cc1ccc(CNCC2CCCC2)cc1.
What is the InChIKey of N-[[4-[(cyclopentylmethylamino)methyl]phenyl]methyl]-N-ethylethanamine?
The InChIKey is YRTKCZVEIFRTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-20(4-2)15-18-11-9-17(10-12-18)14-19-13-16-7-5-6-8-16/h9-12,16,19H,3-8,13-15H2,1-2H3.
What are the key properties of N-[[4-[(cyclopentylmethylamino)methyl]phenyl]methyl]-N-ethylethanamine?
N-[[4-[(cyclopentylmethylamino)methyl]phenyl]methyl]-N-ethylethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(cyclopentylmethylamino)methyl]phenyl]methyl]-N-ethylethanamine is sourced from PubChem (CID 62070861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).