N,N-bis(oxiran-2-ylmethyl)but-2-en-1-amine

C10H17NO2 — CID 141262058

IUPACN,N-bis(oxiran-2-ylmethyl)but-2-en-1-amine
SMILESCC=CCN(CC1CO1)CC1CO1
InChIInChI=1S/C10H17NO2/c1-2-3-4-11(5-9-7-12-9)6-10-8-13-10/h2-3,9-10H,4-8H2,1H3
InChIKeyJOTWOXIYOHVUFF-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.66
Rot. Bonds6

About N,N-bis(oxiran-2-ylmethyl)but-2-en-1-amine

N,N-bis(oxiran-2-ylmethyl)but-2-en-1-amine (PubChem CID 141262058) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N,N-bis(oxiran-2-ylmethyl)but-2-en-1-amine.

Molecular Properties

Compound NameN,N-bis(oxiran-2-ylmethyl)but-2-en-1-amine
PubChem CID141262058
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN,N-bis(oxiran-2-ylmethyl)but-2-en-1-amine
SMILESCC=CCN(CC1CO1)CC1CO1
InChIInChI=1S/C10H17NO2/c1-2-3-4-11(5-9-7-12-9)6-10-8-13-10/h2-3,9-10H,4-8H2,1H3
InChIKeyJOTWOXIYOHVUFF-UHFFFAOYSA-N
XLogP0.66
TPSA28.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[(2S)-oxiran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 94071055
N,N-dimethyl-N'-(oxiran-2-ylmethyl)-N'-[[(2R)-oxiran-2-yl]methyl]methanediamine
CID 166989099
N-(oxiran-2-ylmethyl)-N-prop-2-enylpropan-1-amine
CID 22182928
N-but-2-enyl-N-(oxiran-2-ylmethyl)-2-phenylacetamide
CID 173429053
N,N-dimethyl-1-(oxiran-2-yl)methanamine
CID 161234843
2-[bis(oxiran-2-ylmethyl)amino]acetic acid
CID 19695060
N,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine
CID 102992625
N-[(E)-but-2-enyl]-N-methyloxetan-3-amine
CID 144509687
N-(ethoxymethyl)-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine
CID 134590552
N-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride
CID 159534720
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

Frequently Asked Questions

What is the IUPAC name of N,N-bis(oxiran-2-ylmethyl)but-2-en-1-amine?
The IUPAC name of N,N-bis(oxiran-2-ylmethyl)but-2-en-1-amine (CID 141262058) is N,N-bis(oxiran-2-ylmethyl)but-2-en-1-amine.
What is the SMILES notation for N,N-bis(oxiran-2-ylmethyl)but-2-en-1-amine?
The canonical SMILES for N,N-bis(oxiran-2-ylmethyl)but-2-en-1-amine is CC=CCN(CC1CO1)CC1CO1.
What is the InChIKey of N,N-bis(oxiran-2-ylmethyl)but-2-en-1-amine?
The InChIKey is JOTWOXIYOHVUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-3-4-11(5-9-7-12-9)6-10-8-13-10/h2-3,9-10H,4-8H2,1H3.
What are the key properties of N,N-bis(oxiran-2-ylmethyl)but-2-en-1-amine?
N,N-bis(oxiran-2-ylmethyl)but-2-en-1-amine has a molecular weight of 183.25 g/mol, XLogP of 0.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(oxiran-2-ylmethyl)but-2-en-1-amine is sourced from PubChem (CID 141262058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).