N-(3-methylbutan-2-yl)-3-propan-2-yloxiran-2-amine

C10H21NO — CID 90877172

IUPACN-(3-methylbutan-2-yl)-3-propan-2-yloxiran-2-amine
SMILESCC(C)C(C)NC1OC1C(C)C
InChIInChI=1S/C10H21NO/c1-6(2)8(5)11-10-9(12-10)7(3)4/h6-11H,1-5H3
InChIKeyDXNBLMBXFADZKY-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.00
Rot. Bonds4

About N-(3-methylbutan-2-yl)-3-propan-2-yloxiran-2-amine

N-(3-methylbutan-2-yl)-3-propan-2-yloxiran-2-amine (PubChem CID 90877172) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-3-propan-2-yloxiran-2-amine.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-3-propan-2-yloxiran-2-amine
PubChem CID90877172
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(3-methylbutan-2-yl)-3-propan-2-yloxiran-2-amine
SMILESCC(C)C(C)NC1OC1C(C)C
InChIInChI=1S/C10H21NO/c1-6(2)8(5)11-10-9(12-10)7(3)4/h6-11H,1-5H3
InChIKeyDXNBLMBXFADZKY-UHFFFAOYSA-N
XLogP2.00
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-methylbutan-2-yl)-3-propan-2-yloxiran-2-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

3-methyl-N-pentan-3-yloxiran-2-amine
CID 53962754
3-methyl-N-propan-2-yl-1-propan-2-yloxybutan-2-amine
CID 59174908
2-Propan-2-yl-3-propan-2-yloxyaziridine
CID 88624279
2-methyl-N-(oxiran-2-ylmethyl)butan-1-amine
CID 90726362
N-(2-methylpropyl)-3-propan-2-yloxiran-2-amine
CID 90792162
N-[3-(ethylamino)butan-2-yloxymethyl]-3-methylbutan-2-amine
CID 90824619
3-tert-butyl-N-(3-methylpentan-3-yl)oxiran-2-amine
CID 90916969
3-ethyl-N-(2-methylpropyl)oxiran-2-amine
CID 91127776
N-tert-butyl-3-propan-2-yloxiran-2-amine
CID 91299271
3-methyl-1-N-propan-2-yl-3-N-(3-propan-2-yloxiran-2-yl)butane-1,3-diamine
CID 91522924
3-(2-aminoethyl)-N-pentan-3-yloxiran-2-amine
CID 123312151
N-(2-ethylbutyl)-2-methyloxiran-2-amine
CID 123371211

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-3-propan-2-yloxiran-2-amine?
The IUPAC name of N-(3-methylbutan-2-yl)-3-propan-2-yloxiran-2-amine (CID 90877172) is N-(3-methylbutan-2-yl)-3-propan-2-yloxiran-2-amine.
What is the SMILES notation for N-(3-methylbutan-2-yl)-3-propan-2-yloxiran-2-amine?
The canonical SMILES for N-(3-methylbutan-2-yl)-3-propan-2-yloxiran-2-amine is CC(C)C(C)NC1OC1C(C)C.
What is the InChIKey of N-(3-methylbutan-2-yl)-3-propan-2-yloxiran-2-amine?
The InChIKey is DXNBLMBXFADZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6(2)8(5)11-10-9(12-10)7(3)4/h6-11H,1-5H3.
What are the key properties of N-(3-methylbutan-2-yl)-3-propan-2-yloxiran-2-amine?
N-(3-methylbutan-2-yl)-3-propan-2-yloxiran-2-amine has a molecular weight of 171.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-3-propan-2-yloxiran-2-amine is sourced from PubChem (CID 90877172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).