methanamine;prop-1-ene

C6H21N3 — CID 174317036

IUPACmethanamine;prop-1-ene
SMILESC=CC.CN.CN.CN
InChIInChI=1S/C3H6.3CH5N/c1-3-2;3*1-2/h3H,1H2,2H3;3*2H2,1H3
InChIKeyZLVMXLQQDDZURY-UHFFFAOYSA-N
MW135.25 g/mol
LogP-0.08
Rot. Bonds

About methanamine;prop-1-ene

methanamine;prop-1-ene (PubChem CID 174317036) has the molecular formula C6H21N3 and a molecular weight of 135.25 g/mol. Its IUPAC name is methanamine;prop-1-ene.

Molecular Properties

Compound Namemethanamine;prop-1-ene
PubChem CID174317036
Molecular FormulaC6H21N3
Molecular Weight135.25 g/mol
Exact Mass135.17
IUPAC Namemethanamine;prop-1-ene
SMILESC=CC.CN.CN.CN
InChIInChI=1S/C3H6.3CH5N/c1-3-2;3*1-2/h3H,1H2,2H3;3*2H2,1H3
InChIKeyZLVMXLQQDDZURY-UHFFFAOYSA-N
XLogP-0.08
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanamine;prop-1-ene?
The IUPAC name of methanamine;prop-1-ene (CID 174317036) is methanamine;prop-1-ene.
What is the SMILES notation for methanamine;prop-1-ene?
The canonical SMILES for methanamine;prop-1-ene is C=CC.CN.CN.CN.
What is the InChIKey of methanamine;prop-1-ene?
The InChIKey is ZLVMXLQQDDZURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.3CH5N/c1-3-2;3*1-2/h3H,1H2,2H3;3*2H2,1H3.
What are the key properties of methanamine;prop-1-ene?
methanamine;prop-1-ene has a molecular weight of 135.25 g/mol, XLogP of -0.08, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;prop-1-ene is sourced from PubChem (CID 174317036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).