3-[1-(aminomethyl)cyclopropyl]aniline

C10H14N2 — CID 82275301

IUPAC3-[1-(aminomethyl)cyclopropyl]aniline
SMILESNCC1(c2cccc(N)c2)CC1
InChIInChI=1S/C10H14N2/c11-7-10(4-5-10)8-2-1-3-9(12)6-8/h1-3,6H,4-5,7,11-12H2
InChIKeyJZWGHNMGRWLRKH-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.26
Rot. Bonds2

About 3-[1-(aminomethyl)cyclopropyl]aniline

3-[1-(aminomethyl)cyclopropyl]aniline (PubChem CID 82275301) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclopropyl]aniline.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclopropyl]aniline
PubChem CID82275301
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name3-[1-(aminomethyl)cyclopropyl]aniline
SMILESNCC1(c2cccc(N)c2)CC1
InChIInChI=1S/C10H14N2/c11-7-10(4-5-10)8-2-1-3-9(12)6-8/h1-3,6H,4-5,7,11-12H2
InChIKeyJZWGHNMGRWLRKH-UHFFFAOYSA-N
XLogP1.26
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.26
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

[1-[3-[1-(aminomethyl)cyclopropyl]phenyl]cyclopropyl]methanol
CID 117112180
4-[3-[1-(aminomethyl)cyclopropyl]phenoxy]aniline
CID 116996675
[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 117316889
[1-(3-pentan-3-ylphenyl)cyclopropyl]methanamine
CID 117310036
4-[3-[1-(aminomethyl)cyclobutyl]phenoxy]aniline
CID 116996678
3-[1-(ethylsulfanylmethyl)cyclobutyl]aniline
CID 115033022
N-[3-[1-(aminomethyl)cyclopropyl]phenyl]methanesulfonamide
CID 117353694
3-(1-aminocyclopentyl)aniline
CID 117047301
[1-[3-(oxetan-3-yl)phenyl]cyclobutyl]methanamine
CID 117309887
[1-[3-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 116992722
[4-(3-methoxyphenyl)oxan-4-yl]methanamine
CID 61264029
[4-(3-methylphenyl)thian-4-yl]methanamine
CID 83822688

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclopropyl]aniline?
The IUPAC name of 3-[1-(aminomethyl)cyclopropyl]aniline (CID 82275301) is 3-[1-(aminomethyl)cyclopropyl]aniline.
What is the SMILES notation for 3-[1-(aminomethyl)cyclopropyl]aniline?
The canonical SMILES for 3-[1-(aminomethyl)cyclopropyl]aniline is NCC1(c2cccc(N)c2)CC1.
What is the InChIKey of 3-[1-(aminomethyl)cyclopropyl]aniline?
The InChIKey is JZWGHNMGRWLRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c11-7-10(4-5-10)8-2-1-3-9(12)6-8/h1-3,6H,4-5,7,11-12H2.
What are the key properties of 3-[1-(aminomethyl)cyclopropyl]aniline?
3-[1-(aminomethyl)cyclopropyl]aniline has a molecular weight of 162.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cyclopropyl]aniline is sourced from PubChem (CID 82275301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).