2-(aminomethyl)-5-cyclopropylaniline

C10H14N2 — CID 139269543

IUPAC2-(aminomethyl)-5-cyclopropylaniline
SMILESNCc1ccc(C2CC2)cc1N
InChIInChI=1S/C10H14N2/c11-6-9-4-3-8(5-10(9)12)7-1-2-7/h3-5,7H,1-2,6,11-12H2
InChIKeySMBBRDBHBBTYPQ-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.60
Rot. Bonds2

About 2-(aminomethyl)-5-cyclopropylaniline

2-(aminomethyl)-5-cyclopropylaniline (PubChem CID 139269543) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-(aminomethyl)-5-cyclopropylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-5-cyclopropylaniline
PubChem CID139269543
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-(aminomethyl)-5-cyclopropylaniline
SMILESNCc1ccc(C2CC2)cc1N
InChIInChI=1S/C10H14N2/c11-6-9-4-3-8(5-10(9)12)7-1-2-7/h3-5,7H,1-2,6,11-12H2
InChIKeySMBBRDBHBBTYPQ-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 52
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 2-(aminomethyl)-5-cyclopropylaniline?
The IUPAC name of 2-(aminomethyl)-5-cyclopropylaniline (CID 139269543) is 2-(aminomethyl)-5-cyclopropylaniline.
What is the SMILES notation for 2-(aminomethyl)-5-cyclopropylaniline?
The canonical SMILES for 2-(aminomethyl)-5-cyclopropylaniline is NCc1ccc(C2CC2)cc1N.
What is the InChIKey of 2-(aminomethyl)-5-cyclopropylaniline?
The InChIKey is SMBBRDBHBBTYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c11-6-9-4-3-8(5-10(9)12)7-1-2-7/h3-5,7H,1-2,6,11-12H2.
What are the key properties of 2-(aminomethyl)-5-cyclopropylaniline?
2-(aminomethyl)-5-cyclopropylaniline has a molecular weight of 162.24 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-cyclopropylaniline is sourced from PubChem (CID 139269543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).