N-(3,3-dimethylbutyl)-2,6-dimethyloxan-4-amine

C13H27NO — CID 115904659

IUPACN-(3,3-dimethylbutyl)-2,6-dimethyloxan-4-amine
SMILESCC1CC(NCCC(C)(C)C)CC(C)O1
InChIInChI=1S/C13H27NO/c1-10-8-12(9-11(2)15-10)14-7-6-13(3,4)5/h10-12,14H,6-9H2,1-5H3
InChIKeyRIGZSALSXIWFLM-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds3

About N-(3,3-dimethylbutyl)-2,6-dimethyloxan-4-amine

N-(3,3-dimethylbutyl)-2,6-dimethyloxan-4-amine (PubChem CID 115904659) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2,6-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2,6-dimethyloxan-4-amine
PubChem CID115904659
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(3,3-dimethylbutyl)-2,6-dimethyloxan-4-amine
SMILESCC1CC(NCCC(C)(C)C)CC(C)O1
InChIInChI=1S/C13H27NO/c1-10-8-12(9-11(2)15-10)14-7-6-13(3,4)5/h10-12,14H,6-9H2,1-5H3
InChIKeyRIGZSALSXIWFLM-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(Tert-butoxy)ethyl]piperidine
CID 10797616
N,2,6-trimethyloxan-4-amine
CID 70343666
N-ethyl-2,2-dimethyloxan-4-amine
CID 45791211
N-ethyl-2,2-dimethyloxan-4-amine hydrochloride
CID 119031587
2,6-dimethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 81850306
2,6-dimethyl-N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 81851670
N-(2,2-difluoroethyl)-2,6-dimethyloxan-4-amine
CID 81851987
2,6-dimethyl-N-(4,4,4-trifluorobutyl)oxan-4-amine
CID 81852006
2,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)oxan-4-amine
CID 103906287
N-(3-fluoropropyl)-2-methyloxan-4-amine
CID 103911390
N-(2-fluoroethyl)-2-methyloxan-4-amine
CID 105752329
N-(3-fluoropropyl)-2,6-dimethyloxan-4-amine
CID 115908276

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2,6-dimethyloxan-4-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-2,6-dimethyloxan-4-amine (CID 115904659) is N-(3,3-dimethylbutyl)-2,6-dimethyloxan-4-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2,6-dimethyloxan-4-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-2,6-dimethyloxan-4-amine is CC1CC(NCCC(C)(C)C)CC(C)O1.
What is the InChIKey of N-(3,3-dimethylbutyl)-2,6-dimethyloxan-4-amine?
The InChIKey is RIGZSALSXIWFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10-8-12(9-11(2)15-10)14-7-6-13(3,4)5/h10-12,14H,6-9H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutyl)-2,6-dimethyloxan-4-amine?
N-(3,3-dimethylbutyl)-2,6-dimethyloxan-4-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2,6-dimethyloxan-4-amine is sourced from PubChem (CID 115904659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).