[1-(3,3-dimethylbutoxy)-3-methylcyclopentyl]methanamine

C13H27NO — CID 65052054

IUPAC[1-(3,3-dimethylbutoxy)-3-methylcyclopentyl]methanamine
SMILESCC1CCC(CN)(OCCC(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-11-5-6-13(9-11,10-14)15-8-7-12(2,3)4/h11H,5-10,14H2,1-4H3
InChIKeyYDBKNTPIHALMSO-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.96
Rot. Bonds4

About [1-(3,3-dimethylbutoxy)-3-methylcyclopentyl]methanamine

[1-(3,3-dimethylbutoxy)-3-methylcyclopentyl]methanamine (PubChem CID 65052054) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is [1-(3,3-dimethylbutoxy)-3-methylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3,3-dimethylbutoxy)-3-methylcyclopentyl]methanamine
PubChem CID65052054
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name[1-(3,3-dimethylbutoxy)-3-methylcyclopentyl]methanamine
SMILESCC1CCC(CN)(OCCC(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-11-5-6-13(9-11,10-14)15-8-7-12(2,3)4/h11H,5-10,14H2,1-4H3
InChIKeyYDBKNTPIHALMSO-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methanamine
CID 103032500
[1-(3-ethylsulfonylpropoxy)-3-methylcyclopentyl]methanamine
CID 65093753
[1-(cyclobutylmethoxy)-3-methylcyclopentyl]methanamine
CID 65458688
3-[1-(aminomethyl)-3-methylcyclopentyl]oxy-N,N-dimethylpropanamide
CID 65051629
[3-methyl-1-(3-phenoxypropoxy)cyclopentyl]methanamine
CID 65051676
[4-methyl-1-(4,4,4-trifluorobutoxy)cyclohexyl]methanamine
CID 115512975
[1-(3-ethylsulfonylpropoxy)-3-methylcyclohexyl]methanamine
CID 65093651
2-[1-(aminomethyl)-3-methylcyclopentyl]oxy-N-methylacetamide
CID 65051418
4-[1-(aminomethyl)-3-methylcyclohexyl]oxybutan-1-ol
CID 65052251
[3-methyl-1-(2-pyridin-2-ylethoxy)cyclopentyl]methanamine
CID 65051527
[3-methyl-1-(oxolan-2-ylmethoxy)cyclopentyl]methanamine
CID 65051674
2-[1-(aminomethyl)-3-methylcyclopentyl]oxy-N-ethyl-N-methylacetamide
CID 65051568

Frequently Asked Questions

What is the IUPAC name of [1-(3,3-dimethylbutoxy)-3-methylcyclopentyl]methanamine?
The IUPAC name of [1-(3,3-dimethylbutoxy)-3-methylcyclopentyl]methanamine (CID 65052054) is [1-(3,3-dimethylbutoxy)-3-methylcyclopentyl]methanamine.
What is the SMILES notation for [1-(3,3-dimethylbutoxy)-3-methylcyclopentyl]methanamine?
The canonical SMILES for [1-(3,3-dimethylbutoxy)-3-methylcyclopentyl]methanamine is CC1CCC(CN)(OCCC(C)(C)C)C1.
What is the InChIKey of [1-(3,3-dimethylbutoxy)-3-methylcyclopentyl]methanamine?
The InChIKey is YDBKNTPIHALMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11-5-6-13(9-11,10-14)15-8-7-12(2,3)4/h11H,5-10,14H2,1-4H3.
What are the key properties of [1-(3,3-dimethylbutoxy)-3-methylcyclopentyl]methanamine?
[1-(3,3-dimethylbutoxy)-3-methylcyclopentyl]methanamine has a molecular weight of 213.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3-dimethylbutoxy)-3-methylcyclopentyl]methanamine is sourced from PubChem (CID 65052054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).