[5-(2,2-dimethylpropyl)-5-methyloxolan-2-yl]methanamine

C11H23NO — CID 131048430

IUPAC[5-(2,2-dimethylpropyl)-5-methyloxolan-2-yl]methanamine
SMILESCC(C)(C)CC1(C)CCC(CN)O1
InChIInChI=1S/C11H23NO/c1-10(2,3)8-11(4)6-5-9(7-12)13-11/h9H,5-8,12H2,1-4H3
InChIKeyUPMZPKHZSISCQC-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.32
Rot. Bonds2

About [5-(2,2-dimethylpropyl)-5-methyloxolan-2-yl]methanamine

[5-(2,2-dimethylpropyl)-5-methyloxolan-2-yl]methanamine (PubChem CID 131048430) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is [5-(2,2-dimethylpropyl)-5-methyloxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2,2-dimethylpropyl)-5-methyloxolan-2-yl]methanamine
PubChem CID131048430
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name[5-(2,2-dimethylpropyl)-5-methyloxolan-2-yl]methanamine
SMILESCC(C)(C)CC1(C)CCC(CN)O1
InChIInChI=1S/C11H23NO/c1-10(2,3)8-11(4)6-5-9(7-12)13-11/h9H,5-8,12H2,1-4H3
InChIKeyUPMZPKHZSISCQC-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[6-(cyclopropylmethyl)-6-methyloxan-2-yl]methanamine
CID 126983740
(5-cyclopropyl-5-ethyloxolan-2-yl)methanamine
CID 130583613
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
(6,9-dimethyl-1-oxaspiro[4.5]decan-2-yl)methanamine
CID 126983726
tert-butyl 6-(aminomethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 122164280
tert-butyl N-[(2S)-2-(aminomethyl)-1-oxaspiro[4.5]decan-8-yl]carbamate
CID 125449749
5-(iodomethyl)-2-methyl-2-(2-methylpropyl)oxolane
CID 130582685
tert-butyl 2-(aminomethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 121229920
2-(aminomethyl)-3-(5,5-dimethyloxolan-2-yl)-2-methylpropanoic acid
CID 106487161
(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride
CID 21466688
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylpropan-2-amine
CID 116521163
[2-methyl-5-(3-methylfuran-2-yl)oxolan-2-yl]methanamine
CID 130583856

Frequently Asked Questions

What is the IUPAC name of [5-(2,2-dimethylpropyl)-5-methyloxolan-2-yl]methanamine?
The IUPAC name of [5-(2,2-dimethylpropyl)-5-methyloxolan-2-yl]methanamine (CID 131048430) is [5-(2,2-dimethylpropyl)-5-methyloxolan-2-yl]methanamine.
What is the SMILES notation for [5-(2,2-dimethylpropyl)-5-methyloxolan-2-yl]methanamine?
The canonical SMILES for [5-(2,2-dimethylpropyl)-5-methyloxolan-2-yl]methanamine is CC(C)(C)CC1(C)CCC(CN)O1.
What is the InChIKey of [5-(2,2-dimethylpropyl)-5-methyloxolan-2-yl]methanamine?
The InChIKey is UPMZPKHZSISCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2,3)8-11(4)6-5-9(7-12)13-11/h9H,5-8,12H2,1-4H3.
What are the key properties of [5-(2,2-dimethylpropyl)-5-methyloxolan-2-yl]methanamine?
[5-(2,2-dimethylpropyl)-5-methyloxolan-2-yl]methanamine has a molecular weight of 185.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-dimethylpropyl)-5-methyloxolan-2-yl]methanamine is sourced from PubChem (CID 131048430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).