N,N-dimethyl-4-(oxetan-2-yl)butan-2-amine

C9H19NO — CID 175325715

IUPACN,N-dimethyl-4-(oxetan-2-yl)butan-2-amine
SMILESCC(CCC1CCO1)N(C)C
InChIInChI=1S/C9H19NO/c1-8(10(2)3)4-5-9-6-7-11-9/h8-9H,4-7H2,1-3H3
InChIKeyLVEWFQKWTSYLKQ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds4

About N,N-dimethyl-4-(oxetan-2-yl)butan-2-amine

N,N-dimethyl-4-(oxetan-2-yl)butan-2-amine (PubChem CID 175325715) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N,N-dimethyl-4-(oxetan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(oxetan-2-yl)butan-2-amine
PubChem CID175325715
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN,N-dimethyl-4-(oxetan-2-yl)butan-2-amine
SMILESCC(CCC1CCO1)N(C)C
InChIInChI=1S/C9H19NO/c1-8(10(2)3)4-5-9-6-7-11-9/h8-9H,4-7H2,1-3H3
InChIKeyLVEWFQKWTSYLKQ-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 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

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Related Compounds

2-(5-methylhexyl)oxetane
CID 173452744
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
2-[2-(3-methylbutoxy)ethyl]oxetane
CID 150212884
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 65162291
2-[11-[12-(oxetan-2-yl)dodecan-2-yloxy]dodecyl]oxetane
CID 66633104
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
2-octadecyloxetane
CID 168986267
4-methyl-1-(oxolan-2-yl)heptan-3-amine
CID 104993629
1-(oxolan-2-yl)heptane-3,4-diol
CID 103454796
2-[9-[11-(oxetan-2-yl)undecan-3-yloxy]undecyl]oxetane
CID 66589278
1-(oxetan-2-yl)heptadecan-4-amine
CID 67766424

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(oxetan-2-yl)butan-2-amine?
The IUPAC name of N,N-dimethyl-4-(oxetan-2-yl)butan-2-amine (CID 175325715) is N,N-dimethyl-4-(oxetan-2-yl)butan-2-amine.
What is the SMILES notation for N,N-dimethyl-4-(oxetan-2-yl)butan-2-amine?
The canonical SMILES for N,N-dimethyl-4-(oxetan-2-yl)butan-2-amine is CC(CCC1CCO1)N(C)C.
What is the InChIKey of N,N-dimethyl-4-(oxetan-2-yl)butan-2-amine?
The InChIKey is LVEWFQKWTSYLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(10(2)3)4-5-9-6-7-11-9/h8-9H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(oxetan-2-yl)butan-2-amine?
N,N-dimethyl-4-(oxetan-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-dimethyl-4-(oxetan-2-yl)butan-2-amine is sourced from PubChem (CID 175325715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).