N-tetradecyloxiran-2-amine

C16H33NO — CID 19419381

IUPACN-tetradecyloxiran-2-amine
SMILESCCCCCCCCCCCCCCNC1CO1
InChIInChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-16-15-18-16/h16-17H,2-15H2,1H3
InChIKeyAJDDCQDUQSGWBC-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.63
Rot. Bonds14

About N-tetradecyloxiran-2-amine

N-tetradecyloxiran-2-amine (PubChem CID 19419381) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-tetradecyloxiran-2-amine.

Molecular Properties

Compound NameN-tetradecyloxiran-2-amine
PubChem CID19419381
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-tetradecyloxiran-2-amine
SMILESCCCCCCCCCCCCCCNC1CO1
InChIInChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-16-15-18-16/h16-17H,2-15H2,1H3
InChIKeyAJDDCQDUQSGWBC-UHFFFAOYSA-N
XLogP4.63
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-methyloxirane;N-tetradecyloxiran-2-amine
CID 19419380
N-[(Z)-octadec-9-enyl]oxiran-2-amine
CID 87359514
(3S,3aR,6R,6aR)-3-(decylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 78426170
N-(oxiran-2-ylmethyl)pentadecan-1-amine;hydrobromide
CID 174322767
3-methyl-N-octylcyclopentan-1-amine
CID 115566670
(2S,3R)-2-methyl-N-pentyloxolan-3-amine
CID 97358110
N-dodecyl-3-methylcyclobutan-1-amine
CID 113467183
N-dodecylcyclohexanamine
CID 3679395
9-methyl-N-octyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472549
N-hexyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470840
N'-cyclopropyl-N-decylpropane-1,3-diamine
CID 113410376
N-heptyl-3,5-dimethylcyclohexan-1-amine
CID 64731854

Frequently Asked Questions

What is the IUPAC name of N-tetradecyloxiran-2-amine?
The IUPAC name of N-tetradecyloxiran-2-amine (CID 19419381) is N-tetradecyloxiran-2-amine.
What is the SMILES notation for N-tetradecyloxiran-2-amine?
The canonical SMILES for N-tetradecyloxiran-2-amine is CCCCCCCCCCCCCCNC1CO1.
What is the InChIKey of N-tetradecyloxiran-2-amine?
The InChIKey is AJDDCQDUQSGWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-16-15-18-16/h16-17H,2-15H2,1H3.
What are the key properties of N-tetradecyloxiran-2-amine?
N-tetradecyloxiran-2-amine has a molecular weight of 255.45 g/mol, XLogP of 4.63, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tetradecyloxiran-2-amine is sourced from PubChem (CID 19419381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).