N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine

C9H19NO — CID 130392651

IUPACN,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine
SMILESCCC(C)(CC1CO1)N(C)C
InChIInChI=1S/C9H19NO/c1-5-9(2,10(3)4)6-8-7-11-8/h8H,5-7H2,1-4H3
InChIKeyWDZGJFLSLVCYEV-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds4

About N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine

N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine (PubChem CID 130392651) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine
PubChem CID130392651
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine
SMILESCCC(C)(CC1CO1)N(C)C
InChIInChI=1S/C9H19NO/c1-5-9(2,10(3)4)6-8-7-11-8/h8H,5-7H2,1-4H3
InChIKeyWDZGJFLSLVCYEV-UHFFFAOYSA-N
XLogP1.51
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2,2-bis(oxiran-2-ylmethyl)butyl]oxirane
CID 140676181
(2R)-2-(2,2-dimethylpropyl)oxirane
CID 15053925
2-(2-methoxy-2-methylbutyl)oxirane
CID 88854677
2-(2,2-dichlorobutyl)oxirane
CID 91466713
3-(oxiran-2-ylmethyl)pentan-3-amine;hydrochloride
CID 173000885
N,N-dimethyl-1-(oxiran-2-yl)methanamine
CID 161234843
2-(2,2-diethylpent-4-enyl)oxirane
CID 135036656
N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)propan-2-amine
CID 88561172
2-[2-methyl-2-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxypropyl]oxirane
CID 23618197
(2S)-2-[2-methyl-2-[2-methyl-1-[(2S)-oxiran-2-yl]propan-2-yl]oxypropyl]oxirane
CID 87603297
2-methyl-2-(oxiran-2-ylmethyl)butanamide
CID 155124478
azane;2-(2,2-dimethyltritriacontyl)oxirane
CID 174889957

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine?
The IUPAC name of N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine (CID 130392651) is N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine.
What is the SMILES notation for N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine?
The canonical SMILES for N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine is CCC(C)(CC1CO1)N(C)C.
What is the InChIKey of N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine?
The InChIKey is WDZGJFLSLVCYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-9(2,10(3)4)6-8-7-11-8/h8H,5-7H2,1-4H3.
What are the key properties of N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine?
N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine is sourced from PubChem (CID 130392651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).