N,N-dimethyl-1-(2-methyloxiran-2-yl)butan-1-amine

C9H19NO — CID 141353079

IUPACN,N-dimethyl-1-(2-methyloxiran-2-yl)butan-1-amine
SMILESCCCC(N(C)C)C1(C)CO1
InChIInChI=1S/C9H19NO/c1-5-6-8(10(3)4)9(2)7-11-9/h8H,5-7H2,1-4H3
InChIKeySBAZXDRAEDZMAA-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds4

About N,N-dimethyl-1-(2-methyloxiran-2-yl)butan-1-amine

N,N-dimethyl-1-(2-methyloxiran-2-yl)butan-1-amine (PubChem CID 141353079) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methyloxiran-2-yl)butan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methyloxiran-2-yl)butan-1-amine
PubChem CID141353079
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN,N-dimethyl-1-(2-methyloxiran-2-yl)butan-1-amine
SMILESCCCC(N(C)C)C1(C)CO1
InChIInChI=1S/C9H19NO/c1-5-6-8(10(3)4)9(2)7-11-9/h8H,5-7H2,1-4H3
InChIKeySBAZXDRAEDZMAA-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

N,N-dimethyl-1-(2-methyloxiran-2-yl)dodecan-1-amine
CID 141350662
2-methyl-2-pentan-2-yloxirane
CID 139725922
1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethylbutan-1-amine
CID 116913012
(1S)-1-[(2R)-2-methyloxiran-2-yl]propan-1-ol
CID 10909544
(2S)-2-(diethoxymethyl)-2-methyloxirane
CID 101417400
(1R)-N,N-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine
CID 175053439
N,N-dimethylheptan-4-amine;hydrochloride
CID 138400485
pentan-2-yl 2,2,5-trimethyl-1,3-dioxane-5-carboxylate
CID 155482919
2-methyl-2-pentyloxirane
CID 559073
2-(1-chloroethyl)-2-methyloxirane
CID 15212719
2-methyl-2-nonadecyloxirane
CID 87754306
2-hexadecyl-2-methyloxirane
CID 87444144

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-methyloxiran-2-yl)butan-1-amine?
The IUPAC name of N,N-dimethyl-1-(2-methyloxiran-2-yl)butan-1-amine (CID 141353079) is N,N-dimethyl-1-(2-methyloxiran-2-yl)butan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-(2-methyloxiran-2-yl)butan-1-amine?
The canonical SMILES for N,N-dimethyl-1-(2-methyloxiran-2-yl)butan-1-amine is CCCC(N(C)C)C1(C)CO1.
What is the InChIKey of N,N-dimethyl-1-(2-methyloxiran-2-yl)butan-1-amine?
The InChIKey is SBAZXDRAEDZMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-6-8(10(3)4)9(2)7-11-9/h8H,5-7H2,1-4H3.
What are the key properties of N,N-dimethyl-1-(2-methyloxiran-2-yl)butan-1-amine?
N,N-dimethyl-1-(2-methyloxiran-2-yl)butan-1-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-dimethyl-1-(2-methyloxiran-2-yl)butan-1-amine is sourced from PubChem (CID 141353079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).