N-methylprop-2-en-1-amine;prop-1-ene

C7H15N — CID 143848298

IUPACN-methylprop-2-en-1-amine;prop-1-ene
SMILESC=CC.C=CCNC
InChIInChI=1S/C4H9N.C3H6/c1-3-4-5-2;1-3-2/h3,5H,1,4H2,2H3;3H,1H2,2H3
InChIKeyHXZSIDVZNQJYGO-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.58
Rot. Bonds2

About N-methylprop-2-en-1-amine;prop-1-ene

N-methylprop-2-en-1-amine;prop-1-ene (PubChem CID 143848298) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is N-methylprop-2-en-1-amine;prop-1-ene.

Molecular Properties

Compound NameN-methylprop-2-en-1-amine;prop-1-ene
PubChem CID143848298
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC NameN-methylprop-2-en-1-amine;prop-1-ene
SMILESC=CC.C=CCNC
InChIInChI=1S/C4H9N.C3H6/c1-3-4-5-2;1-3-2/h3,5H,1,4H2,2H3;3H,1H2,2H3
InChIKeyHXZSIDVZNQJYGO-UHFFFAOYSA-N
XLogP1.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-methylprop-2-en-1-amine;prop-1-ene?
The IUPAC name of N-methylprop-2-en-1-amine;prop-1-ene (CID 143848298) is N-methylprop-2-en-1-amine;prop-1-ene.
What is the SMILES notation for N-methylprop-2-en-1-amine;prop-1-ene?
The canonical SMILES for N-methylprop-2-en-1-amine;prop-1-ene is C=CC.C=CCNC.
What is the InChIKey of N-methylprop-2-en-1-amine;prop-1-ene?
The InChIKey is HXZSIDVZNQJYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C3H6/c1-3-4-5-2;1-3-2/h3,5H,1,4H2,2H3;3H,1H2,2H3.
What are the key properties of N-methylprop-2-en-1-amine;prop-1-ene?
N-methylprop-2-en-1-amine;prop-1-ene has a molecular weight of 113.20 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylprop-2-en-1-amine;prop-1-ene is sourced from PubChem (CID 143848298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).