N,N-diethyl-4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]aniline

C19H32N2 — CID 64921729

IUPACN,N-diethyl-4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]aniline
SMILESCCC1CCC(NCc2ccc(N(CC)CC)cc2)C1C
InChIInChI=1S/C19H32N2/c1-5-17-10-13-19(15(17)4)20-14-16-8-11-18(12-9-16)21(6-2)7-3/h8-9,11-12,15,17,19-20H,5-7,10,13-14H2,1-4H3
InChIKeyGKGORVOHKLNHGG-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.45
Rot. Bonds7

About N,N-diethyl-4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]aniline

N,N-diethyl-4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]aniline (PubChem CID 64921729) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N,N-diethyl-4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]aniline
PubChem CID64921729
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN,N-diethyl-4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]aniline
SMILESCCC1CCC(NCc2ccc(N(CC)CC)cc2)C1C
InChIInChI=1S/C19H32N2/c1-5-17-10-13-19(15(17)4)20-14-16-8-11-18(12-9-16)21(6-2)7-3/h8-9,11-12,15,17,19-20H,5-7,10,13-14H2,1-4H3
InChIKeyGKGORVOHKLNHGG-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.45
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

N-benzyl-3-ethyl-2-methylcyclopentan-1-amine
CID 64920559
4-[[(2,3-dimethylcyclohexyl)amino]methyl]-N,N-diethylaniline
CID 43079092
3-ethyl-2-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine
CID 64921530
3-ethyl-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]cyclopentan-1-amine
CID 64921747
4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-N-methylbenzamide
CID 64922349
3-ethyl-2-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentan-1-amine
CID 66409422
N-[(4-bromo-3-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 81437054
2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine
CID 103864488
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine
CID 64922539
N-[[4-(diethylamino)phenyl]methyl]cycloheptanamine
CID 4719916
3-ethyl-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]cyclopentan-1-amine
CID 64922905
3-ethyl-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclopentan-1-amine
CID 64922906

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]aniline?
The IUPAC name of N,N-diethyl-4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]aniline (CID 64921729) is N,N-diethyl-4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]aniline?
The canonical SMILES for N,N-diethyl-4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]aniline is CCC1CCC(NCc2ccc(N(CC)CC)cc2)C1C.
What is the InChIKey of N,N-diethyl-4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]aniline?
The InChIKey is GKGORVOHKLNHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-17-10-13-19(15(17)4)20-14-16-8-11-18(12-9-16)21(6-2)7-3/h8-9,11-12,15,17,19-20H,5-7,10,13-14H2,1-4H3.
What are the key properties of N,N-diethyl-4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]aniline?
N,N-diethyl-4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]aniline has a molecular weight of 288.48 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]aniline is sourced from PubChem (CID 64921729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).