N-(3,3-dimethylbutyl)-2-methyloxolan-3-amine

C11H23NO — CID 115336509

IUPACN-(3,3-dimethylbutyl)-2-methyloxolan-3-amine
SMILESCC1OCCC1NCCC(C)(C)C
InChIInChI=1S/C11H23NO/c1-9-10(5-8-13-9)12-7-6-11(2,3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyPSAAZYLVHYCCMQ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds3

About N-(3,3-dimethylbutyl)-2-methyloxolan-3-amine

N-(3,3-dimethylbutyl)-2-methyloxolan-3-amine (PubChem CID 115336509) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2-methyloxolan-3-amine
PubChem CID115336509
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-(3,3-dimethylbutyl)-2-methyloxolan-3-amine
SMILESCC1OCCC1NCCC(C)(C)C
InChIInChI=1S/C11H23NO/c1-9-10(5-8-13-9)12-7-6-11(2,3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyPSAAZYLVHYCCMQ-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2-methyloxolan-3-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-2-methyloxolan-3-amine (CID 115336509) is N-(3,3-dimethylbutyl)-2-methyloxolan-3-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2-methyloxolan-3-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-2-methyloxolan-3-amine is CC1OCCC1NCCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-2-methyloxolan-3-amine?
The InChIKey is PSAAZYLVHYCCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9-10(5-8-13-9)12-7-6-11(2,3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutyl)-2-methyloxolan-3-amine?
N-(3,3-dimethylbutyl)-2-methyloxolan-3-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 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-methyloxolan-3-amine is sourced from PubChem (CID 115336509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).