butan-2-amine;formonitrile

C5H12N2 — CID 157293075

IUPACbutan-2-amine;formonitrile
SMILESC#N.CCC(C)N
InChIInChI=1S/C4H11N.CHN/c1-3-4(2)5;1-2/h4H,3,5H2,1-2H3;1H
InChIKeyBBAKWVVMHUPNBA-UHFFFAOYSA-N
MW100.16 g/mol
LogP0.88
Rot. Bonds1

About butan-2-amine;formonitrile

butan-2-amine;formonitrile (PubChem CID 157293075) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is butan-2-amine;formonitrile.

Molecular Properties

Compound Namebutan-2-amine;formonitrile
PubChem CID157293075
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Namebutan-2-amine;formonitrile
SMILESC#N.CCC(C)N
InChIInChI=1S/C4H11N.CHN/c1-3-4(2)5;1-2/h4H,3,5H2,1-2H3;1H
InChIKeyBBAKWVVMHUPNBA-UHFFFAOYSA-N
XLogP0.88
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Sec-Butylamine
CID 24874
Isopropylamine
CID 6363
Propylenediamine
CID 6567
3-Pentanamine
CID 12019
2-Butanamine, (S)-
CID 6713753
1,3-Butanediamine
CID 61136
1,2-Diaminopropane, (S)-
CID 642322
Isopropylaminium
CID 3364502
2,3-Butanediamine
CID 136362
(R)-sec-butylamine
CID 2724537
1,2-Butanediamine
CID 138231
sec-Butylammonium chloride
CID 24873

Frequently Asked Questions

What is the IUPAC name of butan-2-amine;formonitrile?
The IUPAC name of butan-2-amine;formonitrile (CID 157293075) is butan-2-amine;formonitrile.
What is the SMILES notation for butan-2-amine;formonitrile?
The canonical SMILES for butan-2-amine;formonitrile is C#N.CCC(C)N.
What is the InChIKey of butan-2-amine;formonitrile?
The InChIKey is BBAKWVVMHUPNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.CHN/c1-3-4(2)5;1-2/h4H,3,5H2,1-2H3;1H.
What are the key properties of butan-2-amine;formonitrile?
butan-2-amine;formonitrile has a molecular weight of 100.16 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-amine;formonitrile is sourced from PubChem (CID 157293075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).