3-[[cyclopentyl(ethyl)amino]methyl]aniline

C14H22N2 — CID 43459100

IUPAC3-[[cyclopentyl(ethyl)amino]methyl]aniline
SMILESCCN(Cc1cccc(N)c1)C1CCCC1
InChIInChI=1S/C14H22N2/c1-2-16(14-8-3-4-9-14)11-12-6-5-7-13(15)10-12/h5-7,10,14H,2-4,8-9,11,15H2,1H3
InChIKeyCNHFUTODIKSYPN-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.03
Rot. Bonds4

About 3-[[cyclopentyl(ethyl)amino]methyl]aniline

3-[[cyclopentyl(ethyl)amino]methyl]aniline (PubChem CID 43459100) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-[[cyclopentyl(ethyl)amino]methyl]aniline.

Molecular Properties

Compound Name3-[[cyclopentyl(ethyl)amino]methyl]aniline
PubChem CID43459100
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-[[cyclopentyl(ethyl)amino]methyl]aniline
SMILESCCN(Cc1cccc(N)c1)C1CCCC1
InChIInChI=1S/C14H22N2/c1-2-16(14-8-3-4-9-14)11-12-6-5-7-13(15)10-12/h5-7,10,14H,2-4,8-9,11,15H2,1H3
InChIKeyCNHFUTODIKSYPN-UHFFFAOYSA-N
XLogP3.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl(ethyl)amino]methyl]aniline?
The IUPAC name of 3-[[cyclopentyl(ethyl)amino]methyl]aniline (CID 43459100) is 3-[[cyclopentyl(ethyl)amino]methyl]aniline.
What is the SMILES notation for 3-[[cyclopentyl(ethyl)amino]methyl]aniline?
The canonical SMILES for 3-[[cyclopentyl(ethyl)amino]methyl]aniline is CCN(Cc1cccc(N)c1)C1CCCC1.
What is the InChIKey of 3-[[cyclopentyl(ethyl)amino]methyl]aniline?
The InChIKey is CNHFUTODIKSYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-16(14-8-3-4-9-14)11-12-6-5-7-13(15)10-12/h5-7,10,14H,2-4,8-9,11,15H2,1H3.
What are the key properties of 3-[[cyclopentyl(ethyl)amino]methyl]aniline?
3-[[cyclopentyl(ethyl)amino]methyl]aniline has a molecular weight of 218.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopentyl(ethyl)amino]methyl]aniline is sourced from PubChem (CID 43459100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).