1-[2-(aminomethyl)phenyl]cyclobutan-1-amine;formonitrile

C12H17N3 — CID 174949833

IUPAC1-[2-(aminomethyl)phenyl]cyclobutan-1-amine;formonitrile
SMILESC#N.NCc1ccccc1C1(N)CCC1
InChIInChI=1S/C11H16N2.CHN/c12-8-9-4-1-2-5-10(9)11(13)6-3-7-11;1-2/h1-2,4-5H,3,6-8,12-13H2;1H
InChIKeyRAZROOYNQFCWPT-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.62
Rot. Bonds2

About 1-[2-(aminomethyl)phenyl]cyclobutan-1-amine;formonitrile

1-[2-(aminomethyl)phenyl]cyclobutan-1-amine;formonitrile (PubChem CID 174949833) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]cyclobutan-1-amine;formonitrile.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]cyclobutan-1-amine;formonitrile
PubChem CID174949833
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name1-[2-(aminomethyl)phenyl]cyclobutan-1-amine;formonitrile
SMILESC#N.NCc1ccccc1C1(N)CCC1
InChIInChI=1S/C11H16N2.CHN/c12-8-9-4-1-2-5-10(9)11(13)6-3-7-11;1-2/h1-2,4-5H,3,6-8,12-13H2;1H
InChIKeyRAZROOYNQFCWPT-UHFFFAOYSA-N
XLogP1.62
TPSA75.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]cyclobutan-1-amine;formonitrile?
The IUPAC name of 1-[2-(aminomethyl)phenyl]cyclobutan-1-amine;formonitrile (CID 174949833) is 1-[2-(aminomethyl)phenyl]cyclobutan-1-amine;formonitrile.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]cyclobutan-1-amine;formonitrile?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]cyclobutan-1-amine;formonitrile is C#N.NCc1ccccc1C1(N)CCC1.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]cyclobutan-1-amine;formonitrile?
The InChIKey is RAZROOYNQFCWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.CHN/c12-8-9-4-1-2-5-10(9)11(13)6-3-7-11;1-2/h1-2,4-5H,3,6-8,12-13H2;1H.
What are the key properties of 1-[2-(aminomethyl)phenyl]cyclobutan-1-amine;formonitrile?
1-[2-(aminomethyl)phenyl]cyclobutan-1-amine;formonitrile has a molecular weight of 203.29 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]cyclobutan-1-amine;formonitrile is sourced from PubChem (CID 174949833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).