N-(2,2-dimethylpropyl)-2,2-diethyloxan-4-amine

C14H29NO — CID 82760396

IUPACN-(2,2-dimethylpropyl)-2,2-diethyloxan-4-amine
SMILESCCC1(CC)CC(NCC(C)(C)C)CCO1
InChIInChI=1S/C14H29NO/c1-6-14(7-2)10-12(8-9-16-14)15-11-13(3,4)5/h12,15H,6-11H2,1-5H3
InChIKeyUMJQOEJWTYHUBW-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds4

About N-(2,2-dimethylpropyl)-2,2-diethyloxan-4-amine

N-(2,2-dimethylpropyl)-2,2-diethyloxan-4-amine (PubChem CID 82760396) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2,2-diethyloxan-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2,2-diethyloxan-4-amine
PubChem CID82760396
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-(2,2-dimethylpropyl)-2,2-diethyloxan-4-amine
SMILESCCC1(CC)CC(NCC(C)(C)C)CCO1
InChIInChI=1S/C14H29NO/c1-6-14(7-2)10-12(8-9-16-14)15-11-13(3,4)5/h12,15H,6-11H2,1-5H3
InChIKeyUMJQOEJWTYHUBW-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 83033348
N-(2-cyclohexylethyl)-2,2-diethyloxan-4-amine
CID 83033801
N-(2,2-difluoro-2-phenylethyl)-2,2-diethyloxan-4-amine
CID 116789249
N-carbamoyl-2-[(2,2-diethyloxan-4-yl)amino]acetamide
CID 83032833
2-[(2,2-diethyloxan-4-yl)amino]-N-methylacetamide
CID 83032578
N-cyclopropyl-2-[(2,2-diethyloxan-4-yl)amino]acetamide
CID 83032670
2-[(2,2-diethyloxan-4-yl)amino]-1-morpholin-4-ylethanone
CID 83033676
N-butan-2-yl-2,2-diethyloxan-4-amine
CID 83033470
2,2-diethyl-N-[2-(oxolan-2-yl)ethyl]oxan-4-amine
CID 83032582
2-[(2,2-diethyloxan-4-yl)amino]-N-(oxan-4-yl)acetamide
CID 83036427
2-amino-N-(2,2-diethyloxan-4-yl)-3,3-dimethylbutanamide
CID 112555896
2,2-diethyl-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine
CID 103179364

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2,2-diethyloxan-4-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-2,2-diethyloxan-4-amine (CID 82760396) is N-(2,2-dimethylpropyl)-2,2-diethyloxan-4-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2,2-diethyloxan-4-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-2,2-diethyloxan-4-amine is CCC1(CC)CC(NCC(C)(C)C)CCO1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2,2-diethyloxan-4-amine?
The InChIKey is UMJQOEJWTYHUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-14(7-2)10-12(8-9-16-14)15-11-13(3,4)5/h12,15H,6-11H2,1-5H3.
What are the key properties of N-(2,2-dimethylpropyl)-2,2-diethyloxan-4-amine?
N-(2,2-dimethylpropyl)-2,2-diethyloxan-4-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2,2-diethyloxan-4-amine is sourced from PubChem (CID 82760396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).