3-(diethylaminomethyl)-N-(2,4,4-trimethylcyclopentyl)aniline

C19H32N2 — CID 106662084

IUPAC3-(diethylaminomethyl)-N-(2,4,4-trimethylcyclopentyl)aniline
SMILESCCN(CC)Cc1cccc(NC2CC(C)(C)CC2C)c1
InChIInChI=1S/C19H32N2/c1-6-21(7-2)14-16-9-8-10-17(11-16)20-18-13-19(4,5)12-15(18)3/h8-11,15,18,20H,6-7,12-14H2,1-5H3
InChIKeyGALMRQYYVAOAJY-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.76
Rot. Bonds6

About 3-(diethylaminomethyl)-N-(2,4,4-trimethylcyclopentyl)aniline

3-(diethylaminomethyl)-N-(2,4,4-trimethylcyclopentyl)aniline (PubChem CID 106662084) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 3-(diethylaminomethyl)-N-(2,4,4-trimethylcyclopentyl)aniline.

Molecular Properties

Compound Name3-(diethylaminomethyl)-N-(2,4,4-trimethylcyclopentyl)aniline
PubChem CID106662084
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name3-(diethylaminomethyl)-N-(2,4,4-trimethylcyclopentyl)aniline
SMILESCCN(CC)Cc1cccc(NC2CC(C)(C)CC2C)c1
InChIInChI=1S/C19H32N2/c1-6-21(7-2)14-16-9-8-10-17(11-16)20-18-13-19(4,5)12-15(18)3/h8-11,15,18,20H,6-7,12-14H2,1-5H3
InChIKeyGALMRQYYVAOAJY-UHFFFAOYSA-N
XLogP4.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(diethylaminomethyl)phenyl]-2-methylthiolan-3-amine
CID 102671075
3-(diethylaminomethyl)-N-(2-methoxycyclohexyl)aniline
CID 43787408
4-N,4-N-diethyl-1-N-(2,4,4-trimethylcyclopentyl)benzene-1,4-diamine
CID 106661857
N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661502
4-ethyl-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661610
3-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile
CID 106661595
3-(diethylaminomethyl)-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561413
3-(4-methyl-1,2,4-triazol-3-yl)-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662157
tert-butyl N-[3-[(2,4,4-trimethylcyclopentyl)amino]phenyl]carbamate
CID 107239998
3-ethyl-N-(2-methylcyclobutyl)aniline
CID 126973402
3-iodo-4-methyl-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662008
tert-butyl N-[3-[3-(diethylaminomethyl)anilino]cyclobutyl]carbamate
CID 113256335

Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)-N-(2,4,4-trimethylcyclopentyl)aniline?
The IUPAC name of 3-(diethylaminomethyl)-N-(2,4,4-trimethylcyclopentyl)aniline (CID 106662084) is 3-(diethylaminomethyl)-N-(2,4,4-trimethylcyclopentyl)aniline.
What is the SMILES notation for 3-(diethylaminomethyl)-N-(2,4,4-trimethylcyclopentyl)aniline?
The canonical SMILES for 3-(diethylaminomethyl)-N-(2,4,4-trimethylcyclopentyl)aniline is CCN(CC)Cc1cccc(NC2CC(C)(C)CC2C)c1.
What is the InChIKey of 3-(diethylaminomethyl)-N-(2,4,4-trimethylcyclopentyl)aniline?
The InChIKey is GALMRQYYVAOAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-21(7-2)14-16-9-8-10-17(11-16)20-18-13-19(4,5)12-15(18)3/h8-11,15,18,20H,6-7,12-14H2,1-5H3.
What are the key properties of 3-(diethylaminomethyl)-N-(2,4,4-trimethylcyclopentyl)aniline?
3-(diethylaminomethyl)-N-(2,4,4-trimethylcyclopentyl)aniline has a molecular weight of 288.48 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)-N-(2,4,4-trimethylcyclopentyl)aniline is sourced from PubChem (CID 106662084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).