4-[[(3-ethylcyclopentyl)amino]methyl]-N,N-dimethylaniline

C16H26N2 — CID 64500811

IUPAC4-[[(3-ethylcyclopentyl)amino]methyl]-N,N-dimethylaniline
SMILESCCC1CCC(NCc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C16H26N2/c1-4-13-5-8-15(11-13)17-12-14-6-9-16(10-7-14)18(2)3/h6-7,9-10,13,15,17H,4-5,8,11-12H2,1-3H3
InChIKeyDXSYGEDWJYQHRC-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.42
Rot. Bonds5

About 4-[[(3-ethylcyclopentyl)amino]methyl]-N,N-dimethylaniline

4-[[(3-ethylcyclopentyl)amino]methyl]-N,N-dimethylaniline (PubChem CID 64500811) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-[[(3-ethylcyclopentyl)amino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[(3-ethylcyclopentyl)amino]methyl]-N,N-dimethylaniline
PubChem CID64500811
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-[[(3-ethylcyclopentyl)amino]methyl]-N,N-dimethylaniline
SMILESCCC1CCC(NCc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C16H26N2/c1-4-13-5-8-15(11-13)17-12-14-6-9-16(10-7-14)18(2)3/h6-7,9-10,13,15,17H,4-5,8,11-12H2,1-3H3
InChIKeyDXSYGEDWJYQHRC-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[[(3-ethylcyclopentyl)amino]methyl]benzonitrile
CID 64501740
4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol
CID 43178531
N-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride
CID 17332385
4-[[(3-ethoxycyclobutyl)amino]methyl]-N,N-dimethylaniline
CID 112553007
N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 79983701
4-ethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43078853
[1-[4-[[(3-ethylcyclopentyl)amino]methyl]phenyl]piperidin-4-yl]methanol
CID 111466478
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 782105
4-ethyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 63454429
N-[[4-(dimethylamino)phenyl]methyl]-1-methylazepan-4-amine
CID 65071147
3-ethyl-N-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine
CID 64500285
N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine
CID 65082609

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethylcyclopentyl)amino]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[(3-ethylcyclopentyl)amino]methyl]-N,N-dimethylaniline (CID 64500811) is 4-[[(3-ethylcyclopentyl)amino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[(3-ethylcyclopentyl)amino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[(3-ethylcyclopentyl)amino]methyl]-N,N-dimethylaniline is CCC1CCC(NCc2ccc(N(C)C)cc2)C1.
What is the InChIKey of 4-[[(3-ethylcyclopentyl)amino]methyl]-N,N-dimethylaniline?
The InChIKey is DXSYGEDWJYQHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-13-5-8-15(11-13)17-12-14-6-9-16(10-7-14)18(2)3/h6-7,9-10,13,15,17H,4-5,8,11-12H2,1-3H3.
What are the key properties of 4-[[(3-ethylcyclopentyl)amino]methyl]-N,N-dimethylaniline?
4-[[(3-ethylcyclopentyl)amino]methyl]-N,N-dimethylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethylcyclopentyl)amino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 64500811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).