3-N-methylprop-1-ene-1,1,3-triamine

C4H11N3 — CID 87835594

IUPAC3-N-methylprop-1-ene-1,1,3-triamine
SMILESCNCC=C(N)N
InChIInChI=1S/C4H11N3/c1-7-3-2-4(5)6/h2,7H,3,5-6H2,1H3
InChIKeyQQKRKXHRQFPGHB-UHFFFAOYSA-N
MW101.15 g/mol
LogP-1.04
Rot. Bonds2

About 3-N-methylprop-1-ene-1,1,3-triamine

3-N-methylprop-1-ene-1,1,3-triamine (PubChem CID 87835594) has the molecular formula C4H11N3 and a molecular weight of 101.15 g/mol. Its IUPAC name is 3-N-methylprop-1-ene-1,1,3-triamine.

Molecular Properties

Compound Name3-N-methylprop-1-ene-1,1,3-triamine
PubChem CID87835594
Molecular FormulaC4H11N3
Molecular Weight101.15 g/mol
Exact Mass101.10
IUPAC Name3-N-methylprop-1-ene-1,1,3-triamine
SMILESCNCC=C(N)N
InChIInChI=1S/C4H11N3/c1-7-3-2-4(5)6/h2,7H,3,5-6H2,1H3
InChIKeyQQKRKXHRQFPGHB-UHFFFAOYSA-N
XLogP-1.04
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-methylprop-1-ene-1,1,3-triamine?
The IUPAC name of 3-N-methylprop-1-ene-1,1,3-triamine (CID 87835594) is 3-N-methylprop-1-ene-1,1,3-triamine.
What is the SMILES notation for 3-N-methylprop-1-ene-1,1,3-triamine?
The canonical SMILES for 3-N-methylprop-1-ene-1,1,3-triamine is CNCC=C(N)N.
What is the InChIKey of 3-N-methylprop-1-ene-1,1,3-triamine?
The InChIKey is QQKRKXHRQFPGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3/c1-7-3-2-4(5)6/h2,7H,3,5-6H2,1H3.
What are the key properties of 3-N-methylprop-1-ene-1,1,3-triamine?
3-N-methylprop-1-ene-1,1,3-triamine has a molecular weight of 101.15 g/mol, XLogP of -1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methylprop-1-ene-1,1,3-triamine is sourced from PubChem (CID 87835594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).