N-[[(2S)-oxiran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine

C9H15NO — CID 94071055

IUPACN-[[(2S)-oxiran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)C[C@H]1CO1
InChIInChI=1S/C9H15NO/c1-3-5-10(6-4-2)7-9-8-11-9/h3-4,9H,1-2,5-8H2/t9-/m0/s1
InChIKeyZDFQOUXHSGUXQZ-VIFPVBQESA-N
MW153.22 g/mol
LogP1.06
Rot. Bonds6

About N-[[(2S)-oxiran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine

N-[[(2S)-oxiran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 94071055) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-[[(2S)-oxiran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[(2S)-oxiran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID94071055
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-[[(2S)-oxiran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)C[C@H]1CO1
InChIInChI=1S/C9H15NO/c1-3-5-10(6-4-2)7-9-8-11-9/h3-4,9H,1-2,5-8H2/t9-/m0/s1
InChIKeyZDFQOUXHSGUXQZ-VIFPVBQESA-N
XLogP1.06
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[(2S)-oxiran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(oxiran-2-ylmethyl)-N-prop-2-enylpropan-1-amine
CID 22182928
N-(oxiran-2-ylmethyl)-N-prop-2-ynylprop-2-en-1-amine
CID 154593843
N,N-bis(oxiran-2-ylmethyl)but-2-en-1-amine
CID 141262058
N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62437687
N,N-dimethyl-N'-(oxiran-2-ylmethyl)-N'-[[(2R)-oxiran-2-yl]methyl]methanediamine
CID 166989099
2-[2-hydroxyethyl(oxiran-2-ylmethyl)amino]ethanol
CID 61234302
N-[[2-[[bis(oxiran-2-ylmethyl)amino]methyl]phenyl]methyl]-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine
CID 18620359
N-[(2,2-diethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 140762840
2-[bis(oxiran-2-ylmethyl)amino]acetic acid
CID 19695060
N,N-dimethyl-1-(oxiran-2-yl)methanamine
CID 161234843
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 143328433
N-[2-(oxiran-2-yl)ethyl]-N-prop-2-enylprop-2-enamide
CID 88654004

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxiran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[[(2S)-oxiran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (CID 94071055) is N-[[(2S)-oxiran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[[(2S)-oxiran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[[(2S)-oxiran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)C[C@H]1CO1.
What is the InChIKey of N-[[(2S)-oxiran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is ZDFQOUXHSGUXQZ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15NO/c1-3-5-10(6-4-2)7-9-8-11-9/h3-4,9H,1-2,5-8H2/t9-/m0/s1.
What are the key properties of N-[[(2S)-oxiran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
N-[[(2S)-oxiran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 153.22 g/mol, XLogP of 1.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxiran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 94071055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).