N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline

C16H26N2 — CID 43281753

IUPACN-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccccc1N(C)C1CCCC1
InChIInChI=1S/C16H26N2/c1-3-12-17-13-14-8-4-7-11-16(14)18(2)15-9-5-6-10-15/h4,7-8,11,15,17H,3,5-6,9-10,12-13H2,1-2H3
InChIKeyDPSYLKUGDDHOEF-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.57
Rot. Bonds6

About N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline

N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline (PubChem CID 43281753) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline.

Molecular Properties

Compound NameN-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
PubChem CID43281753
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccccc1N(C)C1CCCC1
InChIInChI=1S/C16H26N2/c1-3-12-17-13-14-8-4-7-11-16(14)18(2)15-9-5-6-10-15/h4,7-8,11,15,17H,3,5-6,9-10,12-13H2,1-2H3
InChIKeyDPSYLKUGDDHOEF-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline
CID 63551560
N,1-dimethyl-N-[2-(propylaminomethyl)phenyl]piperidin-3-amine
CID 62545562
5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847949
4-chloro-N-cyclohexyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847451
N-cycloheptyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81247077
N-cyclohexyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81249376
N-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62422996
N-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine
CID 63552828
N-cyclopentyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284594
N-methyl-N-[2-[1-(propylamino)ethyl]phenyl]cycloheptanamine
CID 43614164
N-cyclohexyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284184
N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(propylaminomethyl)aniline
CID 55008722

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline?
The IUPAC name of N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline (CID 43281753) is N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline.
What is the SMILES notation for N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline?
The canonical SMILES for N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline is CCCNCc1ccccc1N(C)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline?
The InChIKey is DPSYLKUGDDHOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-12-17-13-14-8-4-7-11-16(14)18(2)15-9-5-6-10-15/h4,7-8,11,15,17H,3,5-6,9-10,12-13H2,1-2H3.
What are the key properties of N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline?
N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline has a molecular weight of 246.40 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline is sourced from PubChem (CID 43281753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).