N-(2,2-diethylbutyl)oxolan-3-amine

C12H25NO — CID 115694918

IUPACN-(2,2-diethylbutyl)oxolan-3-amine
SMILESCCC(CC)(CC)CNC1CCOC1
InChIInChI=1S/C12H25NO/c1-4-12(5-2,6-3)10-13-11-7-8-14-9-11/h11,13H,4-10H2,1-3H3
InChIKeyGKSFSLFDLQEAKD-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds6

About N-(2,2-diethylbutyl)oxolan-3-amine

N-(2,2-diethylbutyl)oxolan-3-amine (PubChem CID 115694918) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(2,2-diethylbutyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(2,2-diethylbutyl)oxolan-3-amine
PubChem CID115694918
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(2,2-diethylbutyl)oxolan-3-amine
SMILESCCC(CC)(CC)CNC1CCOC1
InChIInChI=1S/C12H25NO/c1-4-12(5-2,6-3)10-13-11-7-8-14-9-11/h11,13H,4-10H2,1-3H3
InChIKeyGKSFSLFDLQEAKD-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-2-piperidin-1-ylpropyl)oxolan-3-amine
CID 115688782
N-(2,2-dimethylpropyl)oxan-3-amine
CID 63360307
N-[(E)-but-2-enyl]oxolan-3-amine
CID 107899108
N-(2-methyl-2-phenylpropyl)oxolan-3-amine
CID 63335150
N-(4,4-dimethylpentyl)oxolan-3-amine
CID 115689448
(2S)-1-(oxolan-3-ylamino)butan-2-ol
CID 130571979
N'-cyclopropyl-2,2-diethylpropane-1,3-diamine
CID 115432791
N-(2-methoxyethyl)oxolan-3-amine
CID 63331660
N-(2-cyclopentylethyl)oxolan-3-amine
CID 63335422
N-(3,3,3-trifluoropropyl)oxolan-3-amine
CID 63335110
2-N,2-N-dimethyl-1-N-(oxolan-3-yl)butane-1,2-diamine
CID 115688949
2-methyl-2-(oxolan-3-ylamino)butanoic acid
CID 79789858

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethylbutyl)oxolan-3-amine?
The IUPAC name of N-(2,2-diethylbutyl)oxolan-3-amine (CID 115694918) is N-(2,2-diethylbutyl)oxolan-3-amine.
What is the SMILES notation for N-(2,2-diethylbutyl)oxolan-3-amine?
The canonical SMILES for N-(2,2-diethylbutyl)oxolan-3-amine is CCC(CC)(CC)CNC1CCOC1.
What is the InChIKey of N-(2,2-diethylbutyl)oxolan-3-amine?
The InChIKey is GKSFSLFDLQEAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-12(5-2,6-3)10-13-11-7-8-14-9-11/h11,13H,4-10H2,1-3H3.
What are the key properties of N-(2,2-diethylbutyl)oxolan-3-amine?
N-(2,2-diethylbutyl)oxolan-3-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethylbutyl)oxolan-3-amine is sourced from PubChem (CID 115694918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).