N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxolan-3-amine

C12H23NO — CID 115690956

IUPACN-[[1-(2-methylpropyl)cyclopropyl]methyl]oxolan-3-amine
SMILESCC(C)CC1(CNC2CCOC2)CC1
InChIInChI=1S/C12H23NO/c1-10(2)7-12(4-5-12)9-13-11-3-6-14-8-11/h10-11,13H,3-9H2,1-2H3
InChIKeyAQUMWMRAFTXODE-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds5

About N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxolan-3-amine

N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxolan-3-amine (PubChem CID 115690956) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)cyclopropyl]methyl]oxolan-3-amine
PubChem CID115690956
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-[[1-(2-methylpropyl)cyclopropyl]methyl]oxolan-3-amine
SMILESCC(C)CC1(CNC2CCOC2)CC1
InChIInChI=1S/C12H23NO/c1-10(2)7-12(4-5-12)9-13-11-3-6-14-8-11/h10-11,13H,3-9H2,1-2H3
InChIKeyAQUMWMRAFTXODE-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclohexyl(cyclopropyl)methyl]oxolan-3-amine
CID 91636206
N-ethyl-2,4,5-trimethyloxolan-3-amine;lawrencium
CID 18339631
N-ethyl-2,4,5-trimethyloxolan-3-amine
CID 18339632
2,4,5-trimethyl-N-propan-2-yloxolan-3-amine
CID 57679789
N-(3-methylcyclohexyl)oxolan-3-amine
CID 63331579
N-(3,3-dimethylbutyl)oxolan-3-amine
CID 80346133
(3R)-N-(3,3-dimethylbutyl)oxolan-3-amine
CID 96226300
(3S)-N-(3,3-dimethylbutyl)oxolan-3-amine
CID 96226301
5-[(1-Ethylcyclopropyl)methyl]-2,2-dimethyl-1,3-oxazolidine
CID 123857047
(3R)-N-(2-propylpentyl)oxolan-3-amine
CID 142060093
N-[(1R,3S)-3-methylcyclohexyl]oxolan-3-amine
CID 144886145
3-Tert-butyl-2-(ethoxymethyl)pyrrolidine
CID 153621577

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxolan-3-amine?
The IUPAC name of N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxolan-3-amine (CID 115690956) is N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxolan-3-amine.
What is the SMILES notation for N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxolan-3-amine?
The canonical SMILES for N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxolan-3-amine is CC(C)CC1(CNC2CCOC2)CC1.
What is the InChIKey of N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxolan-3-amine?
The InChIKey is AQUMWMRAFTXODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)7-12(4-5-12)9-13-11-3-6-14-8-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxolan-3-amine?
N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxolan-3-amine has a molecular weight of 197.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxolan-3-amine is sourced from PubChem (CID 115690956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).