N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethyl-4-methylaniline

C16H26N2 — CID 62260420

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethyl-4-methylaniline
SMILESCCN(CC1(CN)CCCC1)c1ccc(C)cc1
InChIInChI=1S/C16H26N2/c1-3-18(15-8-6-14(2)7-9-15)13-16(12-17)10-4-5-11-16/h6-9H,3-5,10-13,17H2,1-2H3
InChIKeyDYPSLSHNHWQTDL-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.34
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethyl-4-methylaniline

N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethyl-4-methylaniline (PubChem CID 62260420) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethyl-4-methylaniline.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethyl-4-methylaniline
PubChem CID62260420
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethyl-4-methylaniline
SMILESCCN(CC1(CN)CCCC1)c1ccc(C)cc1
InChIInChI=1S/C16H26N2/c1-3-18(15-8-6-14(2)7-9-15)13-16(12-17)10-4-5-11-16/h6-9H,3-5,10-13,17H2,1-2H3
InChIKeyDYPSLSHNHWQTDL-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethyl-4-methylaniline?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethyl-4-methylaniline (CID 62260420) is N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethyl-4-methylaniline.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethyl-4-methylaniline?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethyl-4-methylaniline is CCN(CC1(CN)CCCC1)c1ccc(C)cc1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethyl-4-methylaniline?
The InChIKey is DYPSLSHNHWQTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-18(15-8-6-14(2)7-9-15)13-16(12-17)10-4-5-11-16/h6-9H,3-5,10-13,17H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethyl-4-methylaniline?
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethyl-4-methylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethyl-4-methylaniline is sourced from PubChem (CID 62260420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).