1-methylcyclopropane-1,2,3-triamine

C4H11N3 — CID 163904501

IUPAC1-methylcyclopropane-1,2,3-triamine
SMILESCC1(N)C(N)C1N
InChIInChI=1S/C4H11N3/c1-4(7)2(5)3(4)6/h2-3H,5-7H2,1H3
InChIKeyQMTMUJJFOIMONA-UHFFFAOYSA-N
MW101.15 g/mol
LogP-1.63
Rot. Bonds

About 1-methylcyclopropane-1,2,3-triamine

1-methylcyclopropane-1,2,3-triamine (PubChem CID 163904501) has the molecular formula C4H11N3 and a molecular weight of 101.15 g/mol. Its IUPAC name is 1-methylcyclopropane-1,2,3-triamine.

Molecular Properties

Compound Name1-methylcyclopropane-1,2,3-triamine
PubChem CID163904501
Molecular FormulaC4H11N3
Molecular Weight101.15 g/mol
Exact Mass101.10
IUPAC Name1-methylcyclopropane-1,2,3-triamine
SMILESCC1(N)C(N)C1N
InChIInChI=1S/C4H11N3/c1-4(7)2(5)3(4)6/h2-3H,5-7H2,1H3
InChIKeyQMTMUJJFOIMONA-UHFFFAOYSA-N
XLogP-1.63
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylcyclopropane-1,2,3-triamine?
The IUPAC name of 1-methylcyclopropane-1,2,3-triamine (CID 163904501) is 1-methylcyclopropane-1,2,3-triamine.
What is the SMILES notation for 1-methylcyclopropane-1,2,3-triamine?
The canonical SMILES for 1-methylcyclopropane-1,2,3-triamine is CC1(N)C(N)C1N.
What is the InChIKey of 1-methylcyclopropane-1,2,3-triamine?
The InChIKey is QMTMUJJFOIMONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3/c1-4(7)2(5)3(4)6/h2-3H,5-7H2,1H3.
What are the key properties of 1-methylcyclopropane-1,2,3-triamine?
1-methylcyclopropane-1,2,3-triamine has a molecular weight of 101.15 g/mol, XLogP of -1.63, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclopropane-1,2,3-triamine is sourced from PubChem (CID 163904501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).