N,2,3,3-tetramethyl-N-(oxolan-3-ylmethyl)butan-2-amine

C13H27NO — CID 58297160

IUPACN,2,3,3-tetramethyl-N-(oxolan-3-ylmethyl)butan-2-amine
SMILESCN(CC1CCOC1)C(C)(C)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-12(2,3)13(4,5)14(6)9-11-7-8-15-10-11/h11H,7-10H2,1-6H3
InChIKeyKQHTVUMVKGFFJY-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.78
Rot. Bonds3

About N,2,3,3-tetramethyl-N-(oxolan-3-ylmethyl)butan-2-amine

N,2,3,3-tetramethyl-N-(oxolan-3-ylmethyl)butan-2-amine (PubChem CID 58297160) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N,2,3,3-tetramethyl-N-(oxolan-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN,2,3,3-tetramethyl-N-(oxolan-3-ylmethyl)butan-2-amine
PubChem CID58297160
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN,2,3,3-tetramethyl-N-(oxolan-3-ylmethyl)butan-2-amine
SMILESCN(CC1CCOC1)C(C)(C)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-12(2,3)13(4,5)14(6)9-11-7-8-15-10-11/h11H,7-10H2,1-6H3
InChIKeyKQHTVUMVKGFFJY-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,3,3-tetramethyl-N-(oxolan-3-ylmethyl)butan-2-amine?
The IUPAC name of N,2,3,3-tetramethyl-N-(oxolan-3-ylmethyl)butan-2-amine (CID 58297160) is N,2,3,3-tetramethyl-N-(oxolan-3-ylmethyl)butan-2-amine.
What is the SMILES notation for N,2,3,3-tetramethyl-N-(oxolan-3-ylmethyl)butan-2-amine?
The canonical SMILES for N,2,3,3-tetramethyl-N-(oxolan-3-ylmethyl)butan-2-amine is CN(CC1CCOC1)C(C)(C)C(C)(C)C.
What is the InChIKey of N,2,3,3-tetramethyl-N-(oxolan-3-ylmethyl)butan-2-amine?
The InChIKey is KQHTVUMVKGFFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2,3)13(4,5)14(6)9-11-7-8-15-10-11/h11H,7-10H2,1-6H3.
What are the key properties of N,2,3,3-tetramethyl-N-(oxolan-3-ylmethyl)butan-2-amine?
N,2,3,3-tetramethyl-N-(oxolan-3-ylmethyl)butan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3,3-tetramethyl-N-(oxolan-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 58297160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).