N-methylethanamine;prop-1-ene

C6H15N — CID 19357390

IUPACN-methylethanamine;prop-1-ene
SMILESC=CC.CCNC
InChIInChI=1S/C3H9N.C3H6/c1-3-4-2;1-3-2/h4H,3H2,1-2H3;3H,1H2,2H3
InChIKeyBCMUZFCECPUBRG-UHFFFAOYSA-N
MW101.19 g/mol
LogP1.42
Rot. Bonds1

About N-methylethanamine;prop-1-ene

N-methylethanamine;prop-1-ene (PubChem CID 19357390) has the molecular formula C6H15N and a molecular weight of 101.19 g/mol. Its IUPAC name is N-methylethanamine;prop-1-ene.

Molecular Properties

Compound NameN-methylethanamine;prop-1-ene
PubChem CID19357390
Molecular FormulaC6H15N
Molecular Weight101.19 g/mol
Exact Mass101.12
IUPAC NameN-methylethanamine;prop-1-ene
SMILESC=CC.CCNC
InChIInChI=1S/C3H9N.C3H6/c1-3-4-2;1-3-2/h4H,3H2,1-2H3;3H,1H2,2H3
InChIKeyBCMUZFCECPUBRG-UHFFFAOYSA-N
XLogP1.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.19
LogP ≤ 51.42
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-methylethanamine;prop-1-ene?
The IUPAC name of N-methylethanamine;prop-1-ene (CID 19357390) is N-methylethanamine;prop-1-ene.
What is the SMILES notation for N-methylethanamine;prop-1-ene?
The canonical SMILES for N-methylethanamine;prop-1-ene is C=CC.CCNC.
What is the InChIKey of N-methylethanamine;prop-1-ene?
The InChIKey is BCMUZFCECPUBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.C3H6/c1-3-4-2;1-3-2/h4H,3H2,1-2H3;3H,1H2,2H3.
What are the key properties of N-methylethanamine;prop-1-ene?
N-methylethanamine;prop-1-ene has a molecular weight of 101.19 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylethanamine;prop-1-ene is sourced from PubChem (CID 19357390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).