2-methyloxirane;N-tetradecyloxiran-2-amine

C19H39NO2 — CID 19419380

IUPAC2-methyloxirane;N-tetradecyloxiran-2-amine
SMILESCC1CO1.CCCCCCCCCCCCCCNC1CO1
InChIInChI=1S/C16H33NO.C3H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-16-15-18-16;1-3-2-4-3/h16-17H,2-15H2,1H3;3H,2H2,1H3
InChIKeyBSUALRLGCDOBSF-UHFFFAOYSA-N
MW313.53 g/mol
LogP5.04
Rot. Bonds14

About 2-methyloxirane;N-tetradecyloxiran-2-amine

2-methyloxirane;N-tetradecyloxiran-2-amine (PubChem CID 19419380) has the molecular formula C19H39NO2 and a molecular weight of 313.53 g/mol. Its IUPAC name is 2-methyloxirane;N-tetradecyloxiran-2-amine.

Molecular Properties

Compound Name2-methyloxirane;N-tetradecyloxiran-2-amine
PubChem CID19419380
Molecular FormulaC19H39NO2
Molecular Weight313.53 g/mol
Exact Mass313.30
IUPAC Name2-methyloxirane;N-tetradecyloxiran-2-amine
SMILESCC1CO1.CCCCCCCCCCCCCCNC1CO1
InChIInChI=1S/C16H33NO.C3H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-16-15-18-16;1-3-2-4-3/h16-17H,2-15H2,1H3;3H,2H2,1H3
InChIKeyBSUALRLGCDOBSF-UHFFFAOYSA-N
XLogP5.04
TPSA37.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tetradecyloxiran-2-amine
CID 19419381
N-[(Z)-octadec-9-enyl]oxiran-2-amine
CID 87359514
2-methyloxirane;1-octadecoxyoctadecane
CID 88807513
3-methyl-N-octylcyclopentan-1-amine
CID 115566670
N-dodecyl-3-methylcyclobutan-1-amine
CID 113467183
(2S,3R)-2-methyl-N-pentyloxolan-3-amine
CID 97358110
(3S,3aR,6R,6aR)-3-(decylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 78426170
(3R,4S,6R)-4-(butylamino)-6-methyloxan-3-ol
CID 89241505
N-heptyl-3,5-dimethylcyclohexan-1-amine
CID 64731854
N-(oxiran-2-ylmethyl)pentadecan-1-amine;hydrobromide
CID 174322767
docosanoic acid;2-methyloxirane
CID 159912767
N-dodecylcyclohexanamine
CID 3679395

Frequently Asked Questions

What is the IUPAC name of 2-methyloxirane;N-tetradecyloxiran-2-amine?
The IUPAC name of 2-methyloxirane;N-tetradecyloxiran-2-amine (CID 19419380) is 2-methyloxirane;N-tetradecyloxiran-2-amine.
What is the SMILES notation for 2-methyloxirane;N-tetradecyloxiran-2-amine?
The canonical SMILES for 2-methyloxirane;N-tetradecyloxiran-2-amine is CC1CO1.CCCCCCCCCCCCCCNC1CO1.
What is the InChIKey of 2-methyloxirane;N-tetradecyloxiran-2-amine?
The InChIKey is BSUALRLGCDOBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO.C3H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-16-15-18-16;1-3-2-4-3/h16-17H,2-15H2,1H3;3H,2H2,1H3.
What are the key properties of 2-methyloxirane;N-tetradecyloxiran-2-amine?
2-methyloxirane;N-tetradecyloxiran-2-amine has a molecular weight of 313.53 g/mol, XLogP of 5.04, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxirane;N-tetradecyloxiran-2-amine is sourced from PubChem (CID 19419380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).