3-(3-aminocyclopentyl)-2-methylaniline

C12H18N2 — CID 130045674

IUPAC3-(3-aminocyclopentyl)-2-methylaniline
SMILESCc1c(N)cccc1C1CCC(N)C1
InChIInChI=1S/C12H18N2/c1-8-11(3-2-4-12(8)14)9-5-6-10(13)7-9/h2-4,9-10H,5-7,13-14H2,1H3
InChIKeyYCEZWZMTPSPUAA-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.17
Rot. Bonds1

About 3-(3-aminocyclopentyl)-2-methylaniline

3-(3-aminocyclopentyl)-2-methylaniline (PubChem CID 130045674) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-(3-aminocyclopentyl)-2-methylaniline.

Molecular Properties

Compound Name3-(3-aminocyclopentyl)-2-methylaniline
PubChem CID130045674
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name3-(3-aminocyclopentyl)-2-methylaniline
SMILESCc1c(N)cccc1C1CCC(N)C1
InChIInChI=1S/C12H18N2/c1-8-11(3-2-4-12(8)14)9-5-6-10(13)7-9/h2-4,9-10H,5-7,13-14H2,1H3
InChIKeyYCEZWZMTPSPUAA-UHFFFAOYSA-N
XLogP2.17
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.17
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-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 130045679
cis-(1R,3S)-3-(2-chlorophenyl)cyclopentan-1-amine
CID 94680134
(1S,8R)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-3-amine
CID 131028254
3-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylaniline
CID 125450132
3-(3-aminocyclopentyl)-5-methylpyridin-2-amine
CID 64505769
3-(2,4-dimethoxyphenyl)cyclopentan-1-amine
CID 64503651
3-(2-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 64505766
3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine
CID 64505049
3-(2-chloro-4-iodophenyl)cyclopentan-1-amine
CID 130045782
ethane;tricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 91342553
2,6-dicyclopropylaniline
CID 129249080
4-(3-aminocyclopentyl)-3-chlorophenol
CID 130045784

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminocyclopentyl)-2-methylaniline?
The IUPAC name of 3-(3-aminocyclopentyl)-2-methylaniline (CID 130045674) is 3-(3-aminocyclopentyl)-2-methylaniline.
What is the SMILES notation for 3-(3-aminocyclopentyl)-2-methylaniline?
The canonical SMILES for 3-(3-aminocyclopentyl)-2-methylaniline is Cc1c(N)cccc1C1CCC(N)C1.
What is the InChIKey of 3-(3-aminocyclopentyl)-2-methylaniline?
The InChIKey is YCEZWZMTPSPUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-8-11(3-2-4-12(8)14)9-5-6-10(13)7-9/h2-4,9-10H,5-7,13-14H2,1H3.
What are the key properties of 3-(3-aminocyclopentyl)-2-methylaniline?
3-(3-aminocyclopentyl)-2-methylaniline has a molecular weight of 190.29 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminocyclopentyl)-2-methylaniline is sourced from PubChem (CID 130045674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).