ethane;2-ethyl-3-methyl-2-propan-2-ylaziridine

C10H23N — CID 145182017

IUPACethane;2-ethyl-3-methyl-2-propan-2-ylaziridine
SMILESCC.CCC1(C(C)C)NC1C
InChIInChI=1S/C8H17N.C2H6/c1-5-8(6(2)3)7(4)9-8;1-2/h6-7,9H,5H2,1-4H3;1-2H3
InChIKeyBOBFEGZRARXUBM-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.81
Rot. Bonds2

About ethane;2-ethyl-3-methyl-2-propan-2-ylaziridine

ethane;2-ethyl-3-methyl-2-propan-2-ylaziridine (PubChem CID 145182017) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is ethane;2-ethyl-3-methyl-2-propan-2-ylaziridine.

Molecular Properties

Compound Nameethane;2-ethyl-3-methyl-2-propan-2-ylaziridine
PubChem CID145182017
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Nameethane;2-ethyl-3-methyl-2-propan-2-ylaziridine
SMILESCC.CCC1(C(C)C)NC1C
InChIInChI=1S/C8H17N.C2H6/c1-5-8(6(2)3)7(4)9-8;1-2/h6-7,9H,5H2,1-4H3;1-2H3
InChIKeyBOBFEGZRARXUBM-UHFFFAOYSA-N
XLogP2.81
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;2-ethyl-3-methyl-2-propan-2-ylaziridine 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

Diisopropyldiethylamine
CID 21936557
Tetraethyl diethylamine
CID 129677489
Diethyldiisopropylamine
CID 129867302
2,2-Dimethyl-3-propan-2-ylaziridine
CID 13865656
trans-2-Isopropyl-3-Methylaziridine
CID 22214722
2-Methyl-3-propan-2-ylaziridine
CID 558344
2,3-Di(propan-2-yl)aziridine
CID 12632529
(2R,3S)-2,3-di(propan-2-yl)aziridine
CID 12632530
(2R,3R)-2,3-di(propan-2-yl)aziridine
CID 12632531
3-Ethyl-2,2-dimethylaziridine
CID 12643154
N-(2-Ethylbutyl)cyclopropanamine
CID 16774697
N-(4-methylpentan-2-yl)cyclopropanamine
CID 16777485

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-3-methyl-2-propan-2-ylaziridine?
The IUPAC name of ethane;2-ethyl-3-methyl-2-propan-2-ylaziridine (CID 145182017) is ethane;2-ethyl-3-methyl-2-propan-2-ylaziridine.
What is the SMILES notation for ethane;2-ethyl-3-methyl-2-propan-2-ylaziridine?
The canonical SMILES for ethane;2-ethyl-3-methyl-2-propan-2-ylaziridine is CC.CCC1(C(C)C)NC1C.
What is the InChIKey of ethane;2-ethyl-3-methyl-2-propan-2-ylaziridine?
The InChIKey is BOBFEGZRARXUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C2H6/c1-5-8(6(2)3)7(4)9-8;1-2/h6-7,9H,5H2,1-4H3;1-2H3.
What are the key properties of ethane;2-ethyl-3-methyl-2-propan-2-ylaziridine?
ethane;2-ethyl-3-methyl-2-propan-2-ylaziridine has a molecular weight of 157.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-3-methyl-2-propan-2-ylaziridine is sourced from PubChem (CID 145182017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).