N-(114C)methylprop-2-en-1-amine

C4H9N — CID 173316839

IUPACN-(114C)methylprop-2-en-1-amine
SMILESC=CCN[14CH3]
InChIInChI=1S/C4H9N/c1-3-4-5-2/h3,5H,1,4H2,2H3/i2+2
InChIKeyIOXXVNYDGIXMIP-HQMMCQRPSA-N
MW73.12 g/mol
LogP0.39
Rot. Bonds2

About N-(114C)methylprop-2-en-1-amine

N-(114C)methylprop-2-en-1-amine (PubChem CID 173316839) has the molecular formula C4H9N and a molecular weight of 73.12 g/mol. Its IUPAC name is N-(114C)methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(114C)methylprop-2-en-1-amine
PubChem CID173316839
Molecular FormulaC4H9N
Molecular Weight73.12 g/mol
Exact Mass73.08
IUPAC NameN-(114C)methylprop-2-en-1-amine
SMILESC=CCN[14CH3]
InChIInChI=1S/C4H9N/c1-3-4-5-2/h3,5H,1,4H2,2H3/i2+2
InChIKeyIOXXVNYDGIXMIP-HQMMCQRPSA-N
XLogP0.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.12
LogP ≤ 50.39
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-(114C)methylprop-2-en-1-amine?
The IUPAC name of N-(114C)methylprop-2-en-1-amine (CID 173316839) is N-(114C)methylprop-2-en-1-amine.
What is the SMILES notation for N-(114C)methylprop-2-en-1-amine?
The canonical SMILES for N-(114C)methylprop-2-en-1-amine is C=CCN[14CH3].
What is the InChIKey of N-(114C)methylprop-2-en-1-amine?
The InChIKey is IOXXVNYDGIXMIP-HQMMCQRPSA-N. The full InChI is InChI=1S/C4H9N/c1-3-4-5-2/h3,5H,1,4H2,2H3/i2+2.
What are the key properties of N-(114C)methylprop-2-en-1-amine?
N-(114C)methylprop-2-en-1-amine has a molecular weight of 73.12 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(114C)methylprop-2-en-1-amine is sourced from PubChem (CID 173316839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).