N-(2,3-dimethylbutyl)-2,2,5,5-tetramethyloxolan-3-amine

C14H29NO — CID 79928059

IUPACN-(2,3-dimethylbutyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC(C)C(C)CNC1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H29NO/c1-10(2)11(3)9-15-12-8-13(4,5)16-14(12,6)7/h10-12,15H,8-9H2,1-7H3
InChIKeyNFVYWBIZYJMSPG-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.21
Rot. Bonds4

About N-(2,3-dimethylbutyl)-2,2,5,5-tetramethyloxolan-3-amine

N-(2,3-dimethylbutyl)-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 79928059) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID79928059
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-(2,3-dimethylbutyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC(C)C(C)CNC1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H29NO/c1-10(2)11(3)9-15-12-8-13(4,5)16-14(12,6)7/h10-12,15H,8-9H2,1-7H3
InChIKeyNFVYWBIZYJMSPG-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-(2,3-dimethylbutyl)-2,2,5,5-tetramethyloxolan-3-amine (CID 79928059) is N-(2,3-dimethylbutyl)-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-(2,3-dimethylbutyl)-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-(2,3-dimethylbutyl)-2,2,5,5-tetramethyloxolan-3-amine is CC(C)C(C)CNC1CC(C)(C)OC1(C)C.
What is the InChIKey of N-(2,3-dimethylbutyl)-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is NFVYWBIZYJMSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-10(2)11(3)9-15-12-8-13(4,5)16-14(12,6)7/h10-12,15H,8-9H2,1-7H3.
What are the key properties of N-(2,3-dimethylbutyl)-2,2,5,5-tetramethyloxolan-3-amine?
N-(2,3-dimethylbutyl)-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 227.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 79928059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).