N-(cyclopentylmethyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]aniline

C24H34N2 — CID 71192487

IUPACN-(cyclopentylmethyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]aniline
SMILESCCN(CC)Cc1ccc(Cc2cccc(NCC3CCCC3)c2)cc1
InChIInChI=1S/C24H34N2/c1-3-26(4-2)19-22-14-12-20(13-15-22)16-23-10-7-11-24(17-23)25-18-21-8-5-6-9-21/h7,10-15,17,21,25H,3-6,8-9,16,18-19H2,1-2H3
InChIKeyBRZXIGFUECIRJA-UHFFFAOYSA-N
MW350.55 g/mol
LogP5.72
Rot. Bonds9

About N-(cyclopentylmethyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]aniline

N-(cyclopentylmethyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]aniline (PubChem CID 71192487) has the molecular formula C24H34N2 and a molecular weight of 350.55 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]aniline.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]aniline
PubChem CID71192487
Molecular FormulaC24H34N2
Molecular Weight350.55 g/mol
Exact Mass350.27
IUPAC NameN-(cyclopentylmethyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]aniline
SMILESCCN(CC)Cc1ccc(Cc2cccc(NCC3CCCC3)c2)cc1
InChIInChI=1S/C24H34N2/c1-3-26(4-2)19-22-14-12-20(13-15-22)16-23-10-7-11-24(17-23)25-18-21-8-5-6-9-21/h7,10-15,17,21,25H,3-6,8-9,16,18-19H2,1-2H3
InChIKeyBRZXIGFUECIRJA-UHFFFAOYSA-N
XLogP5.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-3-[(dimethylamino)methyl]aniline
CID 43435745
N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline
CID 43688859
N-[[4-[(cyclopentylmethylamino)methyl]phenyl]methyl]-N-ethylethanamine
CID 62070861
1-[3-(cyclohexylmethylamino)phenyl]butan-2-ol
CID 90045587
N-(cyclobutylmethyl)-3-methylaniline
CID 65459852
N-(cyclooctylmethyl)-3-methylaniline
CID 114207672
3-(diethylaminomethyl)-N-(2-methoxycyclohexyl)aniline
CID 43787408
1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376208
N-(cyclopentylmethyl)-2-(diethylaminomethyl)aniline
CID 55034710
N'-benzyl-N-(cyclohexylmethyl)-N'-ethylethane-1,2-diamine
CID 63503034
3-(cyclohexylmethylamino)-N,N-diethylbenzamide
CID 43081416
N-[(4-chlorophenyl)methyl]-3-(diethylaminomethyl)aniline
CID 43435845

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]aniline?
The IUPAC name of N-(cyclopentylmethyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]aniline (CID 71192487) is N-(cyclopentylmethyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]aniline.
What is the SMILES notation for N-(cyclopentylmethyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]aniline?
The canonical SMILES for N-(cyclopentylmethyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]aniline is CCN(CC)Cc1ccc(Cc2cccc(NCC3CCCC3)c2)cc1.
What is the InChIKey of N-(cyclopentylmethyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]aniline?
The InChIKey is BRZXIGFUECIRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2/c1-3-26(4-2)19-22-14-12-20(13-15-22)16-23-10-7-11-24(17-23)25-18-21-8-5-6-9-21/h7,10-15,17,21,25H,3-6,8-9,16,18-19H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]aniline?
N-(cyclopentylmethyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]aniline has a molecular weight of 350.55 g/mol, XLogP of 5.72, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]aniline is sourced from PubChem (CID 71192487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).