aniline;propan-2-amine

C9H16N2 — CID 142091845

IUPACaniline;propan-2-amine
SMILESCC(C)N.Nc1ccccc1
InChIInChI=1S/C6H7N.C3H9N/c7-6-4-2-1-3-5-6;1-3(2)4/h1-5H,7H2;3H,4H2,1-2H3
InChIKeyDCJWYUJWAKOOOZ-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.62
Rot. Bonds

About aniline;propan-2-amine

aniline;propan-2-amine (PubChem CID 142091845) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is aniline;propan-2-amine.

Molecular Properties

Compound Nameaniline;propan-2-amine
PubChem CID142091845
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Nameaniline;propan-2-amine
SMILESCC(C)N.Nc1ccccc1
InChIInChI=1S/C6H7N.C3H9N/c7-6-4-2-1-3-5-6;1-3(2)4/h1-5H,7H2;3H,4H2,1-2H3
InChIKeyDCJWYUJWAKOOOZ-UHFFFAOYSA-N
XLogP1.62
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.62
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

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Frequently Asked Questions

What is the IUPAC name of aniline;propan-2-amine?
The IUPAC name of aniline;propan-2-amine (CID 142091845) is aniline;propan-2-amine.
What is the SMILES notation for aniline;propan-2-amine?
The canonical SMILES for aniline;propan-2-amine is CC(C)N.Nc1ccccc1.
What is the InChIKey of aniline;propan-2-amine?
The InChIKey is DCJWYUJWAKOOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C3H9N/c7-6-4-2-1-3-5-6;1-3(2)4/h1-5H,7H2;3H,4H2,1-2H3.
What are the key properties of aniline;propan-2-amine?
aniline;propan-2-amine has a molecular weight of 152.24 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;propan-2-amine is sourced from PubChem (CID 142091845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).