3-methyl-N-(methylphosphanylmethyl)but-1-en-2-amine

C7H16NP — CID 166948621

IUPAC3-methyl-N-(methylphosphanylmethyl)but-1-en-2-amine
SMILESC=C(NCPC)C(C)C
InChIInChI=1S/C7H16NP/c1-6(2)7(3)8-5-9-4/h6,8-9H,3,5H2,1-2,4H3
InChIKeyJTJZNXREWCSYEN-UHFFFAOYSA-N
MW145.19 g/mol
LogP2.01
Rot. Bonds4

About 3-methyl-N-(methylphosphanylmethyl)but-1-en-2-amine

3-methyl-N-(methylphosphanylmethyl)but-1-en-2-amine (PubChem CID 166948621) has the molecular formula C7H16NP and a molecular weight of 145.19 g/mol. Its IUPAC name is 3-methyl-N-(methylphosphanylmethyl)but-1-en-2-amine.

Molecular Properties

Compound Name3-methyl-N-(methylphosphanylmethyl)but-1-en-2-amine
PubChem CID166948621
Molecular FormulaC7H16NP
Molecular Weight145.19 g/mol
Exact Mass145.10
IUPAC Name3-methyl-N-(methylphosphanylmethyl)but-1-en-2-amine
SMILESC=C(NCPC)C(C)C
InChIInChI=1S/C7H16NP/c1-6(2)7(3)8-5-9-4/h6,8-9H,3,5H2,1-2,4H3
InChIKeyJTJZNXREWCSYEN-UHFFFAOYSA-N
XLogP2.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.19
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(methylphosphanylmethyl)but-1-en-2-amine?
The IUPAC name of 3-methyl-N-(methylphosphanylmethyl)but-1-en-2-amine (CID 166948621) is 3-methyl-N-(methylphosphanylmethyl)but-1-en-2-amine.
What is the SMILES notation for 3-methyl-N-(methylphosphanylmethyl)but-1-en-2-amine?
The canonical SMILES for 3-methyl-N-(methylphosphanylmethyl)but-1-en-2-amine is C=C(NCPC)C(C)C.
What is the InChIKey of 3-methyl-N-(methylphosphanylmethyl)but-1-en-2-amine?
The InChIKey is JTJZNXREWCSYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NP/c1-6(2)7(3)8-5-9-4/h6,8-9H,3,5H2,1-2,4H3.
What are the key properties of 3-methyl-N-(methylphosphanylmethyl)but-1-en-2-amine?
3-methyl-N-(methylphosphanylmethyl)but-1-en-2-amine has a molecular weight of 145.19 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(methylphosphanylmethyl)but-1-en-2-amine is sourced from PubChem (CID 166948621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).