methanamine;2-[methyl(propyl)amino]acetonitrile

C7H17N3 — CID 91183565

IUPACmethanamine;2-[methyl(propyl)amino]acetonitrile
SMILESCCCN(C)CC#N.CN
InChIInChI=1S/C6H12N2.CH5N/c1-3-5-8(2)6-4-7;1-2/h3,5-6H2,1-2H3;2H2,1H3
InChIKeyKVGNTJBFJUYHHU-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.43
Rot. Bonds3

About methanamine;2-[methyl(propyl)amino]acetonitrile

methanamine;2-[methyl(propyl)amino]acetonitrile (PubChem CID 91183565) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is methanamine;2-[methyl(propyl)amino]acetonitrile.

Molecular Properties

Compound Namemethanamine;2-[methyl(propyl)amino]acetonitrile
PubChem CID91183565
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Namemethanamine;2-[methyl(propyl)amino]acetonitrile
SMILESCCCN(C)CC#N.CN
InChIInChI=1S/C6H12N2.CH5N/c1-3-5-8(2)6-4-7;1-2/h3,5-6H2,1-2H3;2H2,1H3
InChIKeyKVGNTJBFJUYHHU-UHFFFAOYSA-N
XLogP0.43
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanamine;2-[methyl(propyl)amino]acetonitrile?
The IUPAC name of methanamine;2-[methyl(propyl)amino]acetonitrile (CID 91183565) is methanamine;2-[methyl(propyl)amino]acetonitrile.
What is the SMILES notation for methanamine;2-[methyl(propyl)amino]acetonitrile?
The canonical SMILES for methanamine;2-[methyl(propyl)amino]acetonitrile is CCCN(C)CC#N.CN.
What is the InChIKey of methanamine;2-[methyl(propyl)amino]acetonitrile?
The InChIKey is KVGNTJBFJUYHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.CH5N/c1-3-5-8(2)6-4-7;1-2/h3,5-6H2,1-2H3;2H2,1H3.
What are the key properties of methanamine;2-[methyl(propyl)amino]acetonitrile?
methanamine;2-[methyl(propyl)amino]acetonitrile has a molecular weight of 143.23 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2-[methyl(propyl)amino]acetonitrile is sourced from PubChem (CID 91183565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).