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

C11H23NO — CID 84660262

IUPACN,2-dimethyl-4-(oxan-4-yl)butan-2-amine
SMILESCNC(C)(C)CCC1CCOCC1
InChIInChI=1S/C11H23NO/c1-11(2,12-3)7-4-10-5-8-13-9-6-10/h10,12H,4-9H2,1-3H3
InChIKeyWZAMXRQXNOHGLZ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds4

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

N,2-dimethyl-4-(oxan-4-yl)butan-2-amine (PubChem CID 84660262) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N,2-dimethyl-4-(oxan-4-yl)butan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-4-(oxan-4-yl)butan-2-amine
PubChem CID84660262
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN,2-dimethyl-4-(oxan-4-yl)butan-2-amine
SMILESCNC(C)(C)CCC1CCOCC1
InChIInChI=1S/C11H23NO/c1-11(2,12-3)7-4-10-5-8-13-9-6-10/h10,12H,4-9H2,1-3H3
InChIKeyWZAMXRQXNOHGLZ-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2-dideuterio-4,4-dimethylpentyl)oxane
CID 118901717
N-methyl-1-(oxan-4-yl)methanamine
CID 22225668
trimethyl-[2-(oxan-4-yl)ethyl]silane
CID 164606403
N,2-dimethyl-2-(oxan-4-ylmethyl)pentan-1-amine
CID 62725215
2-methyl-4-(oxan-4-ylmethylamino)butan-2-ol
CID 79355568
2-(oxan-4-yl)ethylazanium
CID 7022154
3-methyl-N-(oxan-4-ylmethyl)pentan-3-amine
CID 115685650
3-[2-(oxan-4-yl)ethyl]azetidine;hydrochloride
CID 126845734
N-tert-butyl-3,3-dimethyl-4-(oxan-4-yl)butan-1-amine
CID 81033927
N-methyl-1-(oxan-4-yl)hexan-3-amine
CID 62386806
N,4,4-trimethyl-1-(oxan-4-yl)pentan-2-amine
CID 63891515
2-methyl-2-(methylamino)-3-(oxan-4-ylmethoxy)propan-1-ol
CID 64808669

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-(oxan-4-yl)butan-2-amine?
The IUPAC name of N,2-dimethyl-4-(oxan-4-yl)butan-2-amine (CID 84660262) is N,2-dimethyl-4-(oxan-4-yl)butan-2-amine.
What is the SMILES notation for N,2-dimethyl-4-(oxan-4-yl)butan-2-amine?
The canonical SMILES for N,2-dimethyl-4-(oxan-4-yl)butan-2-amine is CNC(C)(C)CCC1CCOCC1.
What is the InChIKey of N,2-dimethyl-4-(oxan-4-yl)butan-2-amine?
The InChIKey is WZAMXRQXNOHGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-11(2,12-3)7-4-10-5-8-13-9-6-10/h10,12H,4-9H2,1-3H3.
What are the key properties of N,2-dimethyl-4-(oxan-4-yl)butan-2-amine?
N,2-dimethyl-4-(oxan-4-yl)butan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-(oxan-4-yl)butan-2-amine is sourced from PubChem (CID 84660262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).