N-(oxiran-2-ylmethyl)-N-prop-2-ynylpropan-1-amine

C9H15NO — CID 165349516

IUPACN-(oxiran-2-ylmethyl)-N-prop-2-ynylpropan-1-amine
SMILESC#CCN(CCC)CC1CO1
InChIInChI=1S/C9H15NO/c1-3-5-10(6-4-2)7-9-8-11-9/h1,9H,4-8H2,2H3
InChIKeyMKJGSSPNHCNCJS-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.73
Rot. Bonds5

About N-(oxiran-2-ylmethyl)-N-prop-2-ynylpropan-1-amine

N-(oxiran-2-ylmethyl)-N-prop-2-ynylpropan-1-amine (PubChem CID 165349516) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-(oxiran-2-ylmethyl)-N-prop-2-ynylpropan-1-amine.

Molecular Properties

Compound NameN-(oxiran-2-ylmethyl)-N-prop-2-ynylpropan-1-amine
PubChem CID165349516
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-(oxiran-2-ylmethyl)-N-prop-2-ynylpropan-1-amine
SMILESC#CCN(CCC)CC1CO1
InChIInChI=1S/C9H15NO/c1-3-5-10(6-4-2)7-9-8-11-9/h1,9H,4-8H2,2H3
InChIKeyMKJGSSPNHCNCJS-UHFFFAOYSA-N
XLogP0.73
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(oxiran-2-ylmethyl)-N-prop-2-ynylpropan-1-amine?
The IUPAC name of N-(oxiran-2-ylmethyl)-N-prop-2-ynylpropan-1-amine (CID 165349516) is N-(oxiran-2-ylmethyl)-N-prop-2-ynylpropan-1-amine.
What is the SMILES notation for N-(oxiran-2-ylmethyl)-N-prop-2-ynylpropan-1-amine?
The canonical SMILES for N-(oxiran-2-ylmethyl)-N-prop-2-ynylpropan-1-amine is C#CCN(CCC)CC1CO1.
What is the InChIKey of N-(oxiran-2-ylmethyl)-N-prop-2-ynylpropan-1-amine?
The InChIKey is MKJGSSPNHCNCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-5-10(6-4-2)7-9-8-11-9/h1,9H,4-8H2,2H3.
What are the key properties of N-(oxiran-2-ylmethyl)-N-prop-2-ynylpropan-1-amine?
N-(oxiran-2-ylmethyl)-N-prop-2-ynylpropan-1-amine has a molecular weight of 153.22 g/mol, XLogP of 0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxiran-2-ylmethyl)-N-prop-2-ynylpropan-1-amine is sourced from PubChem (CID 165349516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).