N-methyl-N-prop-2-ynylpent-1-en-2-amine

C9H15N — CID 130179039

IUPACN-methyl-N-prop-2-ynylpent-1-en-2-amine
SMILESC#CCN(C)C(=C)CCC
InChIInChI=1S/C9H15N/c1-5-7-9(3)10(4)8-6-2/h2H,3,5,7-8H2,1,4H3
InChIKeyVHJIOEYXSZEKFO-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.87
Rot. Bonds4

About N-methyl-N-prop-2-ynylpent-1-en-2-amine

N-methyl-N-prop-2-ynylpent-1-en-2-amine (PubChem CID 130179039) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-methyl-N-prop-2-ynylpent-1-en-2-amine.

Molecular Properties

Compound NameN-methyl-N-prop-2-ynylpent-1-en-2-amine
PubChem CID130179039
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-methyl-N-prop-2-ynylpent-1-en-2-amine
SMILESC#CCN(C)C(=C)CCC
InChIInChI=1S/C9H15N/c1-5-7-9(3)10(4)8-6-2/h2H,3,5,7-8H2,1,4H3
InChIKeyVHJIOEYXSZEKFO-UHFFFAOYSA-N
XLogP1.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-ynylpent-1-en-2-amine?
The IUPAC name of N-methyl-N-prop-2-ynylpent-1-en-2-amine (CID 130179039) is N-methyl-N-prop-2-ynylpent-1-en-2-amine.
What is the SMILES notation for N-methyl-N-prop-2-ynylpent-1-en-2-amine?
The canonical SMILES for N-methyl-N-prop-2-ynylpent-1-en-2-amine is C#CCN(C)C(=C)CCC.
What is the InChIKey of N-methyl-N-prop-2-ynylpent-1-en-2-amine?
The InChIKey is VHJIOEYXSZEKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-5-7-9(3)10(4)8-6-2/h2H,3,5,7-8H2,1,4H3.
What are the key properties of N-methyl-N-prop-2-ynylpent-1-en-2-amine?
N-methyl-N-prop-2-ynylpent-1-en-2-amine has a molecular weight of 137.23 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-ynylpent-1-en-2-amine is sourced from PubChem (CID 130179039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).