N-[2-methyl-4-(3-methyloxiran-2-yl)pentan-2-yl]-3-propan-2-yloxiran-2-amine

C14H27NO2 — CID 91050135

IUPACN-[2-methyl-4-(3-methyloxiran-2-yl)pentan-2-yl]-3-propan-2-yloxiran-2-amine
SMILESCC(C)C1OC1NC(C)(C)CC(C)C1OC1C
InChIInChI=1S/C14H27NO2/c1-8(2)11-13(17-11)15-14(5,6)7-9(3)12-10(4)16-12/h8-13,15H,7H2,1-6H3
InChIKeyHLHOPTSTBYOSHM-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.55
Rot. Bonds6

About N-[2-methyl-4-(3-methyloxiran-2-yl)pentan-2-yl]-3-propan-2-yloxiran-2-amine

N-[2-methyl-4-(3-methyloxiran-2-yl)pentan-2-yl]-3-propan-2-yloxiran-2-amine (PubChem CID 91050135) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-[2-methyl-4-(3-methyloxiran-2-yl)pentan-2-yl]-3-propan-2-yloxiran-2-amine.

Molecular Properties

Compound NameN-[2-methyl-4-(3-methyloxiran-2-yl)pentan-2-yl]-3-propan-2-yloxiran-2-amine
PubChem CID91050135
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-[2-methyl-4-(3-methyloxiran-2-yl)pentan-2-yl]-3-propan-2-yloxiran-2-amine
SMILESCC(C)C1OC1NC(C)(C)CC(C)C1OC1C
InChIInChI=1S/C14H27NO2/c1-8(2)11-13(17-11)15-14(5,6)7-9(3)12-10(4)16-12/h8-13,15H,7H2,1-6H3
InChIKeyHLHOPTSTBYOSHM-UHFFFAOYSA-N
XLogP2.55
TPSA37.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-methyl-4-(3-methyloxiran-2-yl)pentan-2-yl]-3-propan-2-yloxiran-2-amine with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-(3-methyloxiran-2-yl)butanoate
CID 175497591
2-[1-(2,2-dimethylpropoxy)ethyl]-3-methyloxirane
CID 91348346
3-methyl-N-(2,4,4-trimethylhexan-2-yl)oxiran-2-amine
CID 146384373
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3S)-3-methyloxiran-2-yl]propanal
CID 102012218
(2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane
CID 130441371
2-methyl-3-(6-methylheptan-3-yl)oxirane
CID 90735905
N-(3-methoxy-3-methylbutyl)-3-(3-methylbutan-2-yl)oxiran-2-amine
CID 91465673
(2S,3R,6S)-3,4,5-tributoxy-2-methyl-6-propan-2-yloxane
CID 71163839
2-[1-(5-ethylthiophen-2-yl)propan-2-yl]-3-methyloxirane
CID 83929451
2-butan-2-yl-4,5-dimethyloxolan-3-amine
CID 59025329
[(1R)-1-[(2R,3R)-3-methyloxiran-2-yl]ethyl] ethanesulfonate
CID 166571378
5-methoxy-2-methyl-6-propan-2-yloxane-3,4-diol
CID 70847183

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(3-methyloxiran-2-yl)pentan-2-yl]-3-propan-2-yloxiran-2-amine?
The IUPAC name of N-[2-methyl-4-(3-methyloxiran-2-yl)pentan-2-yl]-3-propan-2-yloxiran-2-amine (CID 91050135) is N-[2-methyl-4-(3-methyloxiran-2-yl)pentan-2-yl]-3-propan-2-yloxiran-2-amine.
What is the SMILES notation for N-[2-methyl-4-(3-methyloxiran-2-yl)pentan-2-yl]-3-propan-2-yloxiran-2-amine?
The canonical SMILES for N-[2-methyl-4-(3-methyloxiran-2-yl)pentan-2-yl]-3-propan-2-yloxiran-2-amine is CC(C)C1OC1NC(C)(C)CC(C)C1OC1C.
What is the InChIKey of N-[2-methyl-4-(3-methyloxiran-2-yl)pentan-2-yl]-3-propan-2-yloxiran-2-amine?
The InChIKey is HLHOPTSTBYOSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-8(2)11-13(17-11)15-14(5,6)7-9(3)12-10(4)16-12/h8-13,15H,7H2,1-6H3.
What are the key properties of N-[2-methyl-4-(3-methyloxiran-2-yl)pentan-2-yl]-3-propan-2-yloxiran-2-amine?
N-[2-methyl-4-(3-methyloxiran-2-yl)pentan-2-yl]-3-propan-2-yloxiran-2-amine has a molecular weight of 241.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(3-methyloxiran-2-yl)pentan-2-yl]-3-propan-2-yloxiran-2-amine is sourced from PubChem (CID 91050135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).