N-(methylamino)-N-(prop-1-en-2-ylamino)methanamine

C5H13N3 — CID 163804051

IUPACN-(methylamino)-N-(prop-1-en-2-ylamino)methanamine
SMILESC=C(C)NN(C)NC
InChIInChI=1S/C5H13N3/c1-5(2)7-8(4)6-3/h6-7H,1H2,2-4H3
InChIKeyNHLNJLHNSNBYKO-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.09
Rot. Bonds3

About N-(methylamino)-N-(prop-1-en-2-ylamino)methanamine

N-(methylamino)-N-(prop-1-en-2-ylamino)methanamine (PubChem CID 163804051) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is N-(methylamino)-N-(prop-1-en-2-ylamino)methanamine.

Molecular Properties

Compound NameN-(methylamino)-N-(prop-1-en-2-ylamino)methanamine
PubChem CID163804051
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC NameN-(methylamino)-N-(prop-1-en-2-ylamino)methanamine
SMILESC=C(C)NN(C)NC
InChIInChI=1S/C5H13N3/c1-5(2)7-8(4)6-3/h6-7H,1H2,2-4H3
InChIKeyNHLNJLHNSNBYKO-UHFFFAOYSA-N
XLogP0.09
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(methylamino)-N-(prop-1-en-2-ylamino)methanamine?
The IUPAC name of N-(methylamino)-N-(prop-1-en-2-ylamino)methanamine (CID 163804051) is N-(methylamino)-N-(prop-1-en-2-ylamino)methanamine.
What is the SMILES notation for N-(methylamino)-N-(prop-1-en-2-ylamino)methanamine?
The canonical SMILES for N-(methylamino)-N-(prop-1-en-2-ylamino)methanamine is C=C(C)NN(C)NC.
What is the InChIKey of N-(methylamino)-N-(prop-1-en-2-ylamino)methanamine?
The InChIKey is NHLNJLHNSNBYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c1-5(2)7-8(4)6-3/h6-7H,1H2,2-4H3.
What are the key properties of N-(methylamino)-N-(prop-1-en-2-ylamino)methanamine?
N-(methylamino)-N-(prop-1-en-2-ylamino)methanamine has a molecular weight of 115.18 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylamino)-N-(prop-1-en-2-ylamino)methanamine is sourced from PubChem (CID 163804051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).