N-(cyclopentylmethyl)-4-(ethylaminomethyl)-N,3-dimethylaniline

C17H28N2 — CID 63630730

IUPACN-(cyclopentylmethyl)-4-(ethylaminomethyl)-N,3-dimethylaniline
SMILESCCNCc1ccc(N(C)CC2CCCC2)cc1C
InChIInChI=1S/C17H28N2/c1-4-18-12-16-9-10-17(11-14(16)2)19(3)13-15-7-5-6-8-15/h9-11,15,18H,4-8,12-13H2,1-3H3
InChIKeyNELQSEYLWJBIHM-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.73
Rot. Bonds6

About N-(cyclopentylmethyl)-4-(ethylaminomethyl)-N,3-dimethylaniline

N-(cyclopentylmethyl)-4-(ethylaminomethyl)-N,3-dimethylaniline (PubChem CID 63630730) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-4-(ethylaminomethyl)-N,3-dimethylaniline.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-4-(ethylaminomethyl)-N,3-dimethylaniline
PubChem CID63630730
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-(cyclopentylmethyl)-4-(ethylaminomethyl)-N,3-dimethylaniline
SMILESCCNCc1ccc(N(C)CC2CCCC2)cc1C
InChIInChI=1S/C17H28N2/c1-4-18-12-16-9-10-17(11-14(16)2)19(3)13-15-7-5-6-8-15/h9-11,15,18H,4-8,12-13H2,1-3H3
InChIKeyNELQSEYLWJBIHM-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.73
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-(ethylaminomethyl)-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 63864840
N-cyclopentyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline
CID 62136544
5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline
CID 63552851
N,3-dimethyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 63713320
N-(cyclopentylmethyl)-2-(ethylaminomethyl)-N-methylpyridin-4-amine
CID 63655101
4-(chloromethyl)-N-(cyclopropylmethyl)-N,3-dimethylaniline
CID 62129636
4-(2-aminopropyl)-N-(cyclobutylmethyl)-N,3-dimethylaniline
CID 63794504
2-[4-(ethylaminomethyl)-N,3-dimethylanilino]propan-1-ol
CID 104552910
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline
CID 79319429
4-(ethylaminomethyl)-N,3-dimethyl-N-(pyridin-3-ylmethyl)aniline
CID 62135360
4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline
CID 62136200
N-(cyclobutylmethyl)-5-(ethylaminomethyl)-N,2-dimethylpyridin-4-amine
CID 81247485

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-4-(ethylaminomethyl)-N,3-dimethylaniline?
The IUPAC name of N-(cyclopentylmethyl)-4-(ethylaminomethyl)-N,3-dimethylaniline (CID 63630730) is N-(cyclopentylmethyl)-4-(ethylaminomethyl)-N,3-dimethylaniline.
What is the SMILES notation for N-(cyclopentylmethyl)-4-(ethylaminomethyl)-N,3-dimethylaniline?
The canonical SMILES for N-(cyclopentylmethyl)-4-(ethylaminomethyl)-N,3-dimethylaniline is CCNCc1ccc(N(C)CC2CCCC2)cc1C.
What is the InChIKey of N-(cyclopentylmethyl)-4-(ethylaminomethyl)-N,3-dimethylaniline?
The InChIKey is NELQSEYLWJBIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-18-12-16-9-10-17(11-14(16)2)19(3)13-15-7-5-6-8-15/h9-11,15,18H,4-8,12-13H2,1-3H3.
What are the key properties of N-(cyclopentylmethyl)-4-(ethylaminomethyl)-N,3-dimethylaniline?
N-(cyclopentylmethyl)-4-(ethylaminomethyl)-N,3-dimethylaniline has a molecular weight of 260.43 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-4-(ethylaminomethyl)-N,3-dimethylaniline is sourced from PubChem (CID 63630730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).