N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylaniline

C16H26N2 — CID 55051657

IUPACN-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylaniline
SMILESCCNCC1(CN(C)c2ccccc2)CCCC1
InChIInChI=1S/C16H26N2/c1-3-17-13-16(11-7-8-12-16)14-18(2)15-9-5-4-6-10-15/h4-6,9-10,17H,3,7-8,11-14H2,1-2H3
InChIKeyZWYVMKTWZYJGIU-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.29
Rot. Bonds6

About N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylaniline

N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylaniline (PubChem CID 55051657) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylaniline.

Molecular Properties

Compound NameN-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylaniline
PubChem CID55051657
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylaniline
SMILESCCNCC1(CN(C)c2ccccc2)CCCC1
InChIInChI=1S/C16H26N2/c1-3-17-13-16(11-7-8-12-16)14-18(2)15-9-5-4-6-10-15/h4-6,9-10,17H,3,7-8,11-14H2,1-2H3
InChIKeyZWYVMKTWZYJGIU-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylaniline?
The IUPAC name of N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylaniline (CID 55051657) is N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylaniline.
What is the SMILES notation for N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylaniline?
The canonical SMILES for N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylaniline is CCNCC1(CN(C)c2ccccc2)CCCC1.
What is the InChIKey of N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylaniline?
The InChIKey is ZWYVMKTWZYJGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-17-13-16(11-7-8-12-16)14-18(2)15-9-5-4-6-10-15/h4-6,9-10,17H,3,7-8,11-14H2,1-2H3.
What are the key properties of N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylaniline?
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylaniline is sourced from PubChem (CID 55051657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).