3-[amino(cyclopropyl)methyl]benzene-1,2-diamine

C10H15N3 — CID 55282374

IUPAC3-[amino(cyclopropyl)methyl]benzene-1,2-diamine
SMILESNc1cccc(C(N)C2CC2)c1N
InChIInChI=1S/C10H15N3/c11-8-3-1-2-7(10(8)13)9(12)6-4-5-6/h1-3,6,9H,4-5,11-13H2
InChIKeyQCFFZKRJVBDGOG-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.26
Rot. Bonds2

About 3-[amino(cyclopropyl)methyl]benzene-1,2-diamine

3-[amino(cyclopropyl)methyl]benzene-1,2-diamine (PubChem CID 55282374) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-[amino(cyclopropyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-[amino(cyclopropyl)methyl]benzene-1,2-diamine
PubChem CID55282374
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name3-[amino(cyclopropyl)methyl]benzene-1,2-diamine
SMILESNc1cccc(C(N)C2CC2)c1N
InChIInChI=1S/C10H15N3/c11-8-3-1-2-7(10(8)13)9(12)6-4-5-6/h1-3,6,9H,4-5,11-13H2
InChIKeyQCFFZKRJVBDGOG-UHFFFAOYSA-N
XLogP1.26
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(S)-amino(cyclopropyl)methyl]aniline
CID 130654214
cyclopropyl-(2,3-dichlorophenyl)methanamine
CID 62789310
(R)-cyclopropyl-(2,3-dimethylphenyl)methanamine
CID 55278882
2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride
CID 171200964
cyclopropyl-(2-iodophenyl)methanamine
CID 112684977
(2-bromo-3-iodophenyl)-cyclopropylmethanamine
CID 130043777
(R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine
CID 131184271
(R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine;hydrochloride
CID 171201747
4-[(S)-amino(cyclopropyl)methyl]-2,3-dichloroaniline
CID 130729519
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
2-[amino(cyclopropyl)methyl]-5-chloroaniline
CID 55270347
(S)-cyclopropyl-(2-ethenylphenyl)methanamine
CID 131218934

Frequently Asked Questions

What is the IUPAC name of 3-[amino(cyclopropyl)methyl]benzene-1,2-diamine?
The IUPAC name of 3-[amino(cyclopropyl)methyl]benzene-1,2-diamine (CID 55282374) is 3-[amino(cyclopropyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 3-[amino(cyclopropyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 3-[amino(cyclopropyl)methyl]benzene-1,2-diamine is Nc1cccc(C(N)C2CC2)c1N.
What is the InChIKey of 3-[amino(cyclopropyl)methyl]benzene-1,2-diamine?
The InChIKey is QCFFZKRJVBDGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c11-8-3-1-2-7(10(8)13)9(12)6-4-5-6/h1-3,6,9H,4-5,11-13H2.
What are the key properties of 3-[amino(cyclopropyl)methyl]benzene-1,2-diamine?
3-[amino(cyclopropyl)methyl]benzene-1,2-diamine has a molecular weight of 177.25 g/mol, XLogP of 1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(cyclopropyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 55282374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).