3-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]aniline

C15H24N2 — CID 114547540

IUPAC3-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]aniline
SMILESCC1(C)CCC(NCCc2cccc(N)c2)C1
InChIInChI=1S/C15H24N2/c1-15(2)8-6-14(11-15)17-9-7-12-4-3-5-13(16)10-12/h3-5,10,14,17H,6-9,11,16H2,1-2H3
InChIKeyMPDXERCCINAAMF-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.98
Rot. Bonds4

About 3-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]aniline

3-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]aniline (PubChem CID 114547540) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]aniline.

Molecular Properties

Compound Name3-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]aniline
PubChem CID114547540
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]aniline
SMILESCC1(C)CCC(NCCc2cccc(N)c2)C1
InChIInChI=1S/C15H24N2/c1-15(2)8-6-14(11-15)17-9-7-12-4-3-5-13(16)10-12/h3-5,10,14,17H,6-9,11,16H2,1-2H3
InChIKeyMPDXERCCINAAMF-UHFFFAOYSA-N
XLogP2.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 80705858
3-[2-(cyclohexylamino)ethyl]aniline
CID 65350125
N-[2-(3-aminophenyl)ethyl]cyclododecanamine
CID 82257295
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
4-[[(3,3-dimethylcyclopentyl)amino]methyl]-2-fluoroaniline
CID 114547589
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
N-[2-(cyclopenten-1-yl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 104531626
N'-benzyl-N-(3,3-dimethylcyclopentyl)-N'-methylpropane-1,3-diamine
CID 80693376
N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544151
3,3-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 79763760
3-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propyl]aniline
CID 115342217
N-[2-(3-methylphenyl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79899591

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]aniline?
The IUPAC name of 3-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]aniline (CID 114547540) is 3-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]aniline.
What is the SMILES notation for 3-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]aniline?
The canonical SMILES for 3-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]aniline is CC1(C)CCC(NCCc2cccc(N)c2)C1.
What is the InChIKey of 3-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]aniline?
The InChIKey is MPDXERCCINAAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-15(2)8-6-14(11-15)17-9-7-12-4-3-5-13(16)10-12/h3-5,10,14,17H,6-9,11,16H2,1-2H3.
What are the key properties of 3-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]aniline?
3-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]aniline has a molecular weight of 232.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]aniline is sourced from PubChem (CID 114547540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).