1-cyclopentyl-4-methoxy-4-methylpentan-1-amine

C12H25NO — CID 103017192

IUPAC1-cyclopentyl-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CCC(N)C1CCCC1
InChIInChI=1S/C12H25NO/c1-12(2,14-3)9-8-11(13)10-6-4-5-7-10/h10-11H,4-9,13H2,1-3H3
InChIKeyDLQXSRMYCIKFGT-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.71
Rot. Bonds5

About 1-cyclopentyl-4-methoxy-4-methylpentan-1-amine

1-cyclopentyl-4-methoxy-4-methylpentan-1-amine (PubChem CID 103017192) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-cyclopentyl-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-cyclopentyl-4-methoxy-4-methylpentan-1-amine
PubChem CID103017192
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-cyclopentyl-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CCC(N)C1CCCC1
InChIInChI=1S/C12H25NO/c1-12(2,14-3)9-8-11(13)10-6-4-5-7-10/h10-11H,4-9,13H2,1-3H3
InChIKeyDLQXSRMYCIKFGT-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

rac-(1R,2S)-2-(2-methoxyethyl)cyclopentan-1-amine
CID 93851008
1-(5-Methyl-2-tetra-hydrofurfuryl)-2-aminocyclopentane
CID 13025932
1-(4,4-Difluorocyclohexyl)-4-methoxy-4-methylpentan-1-amine
CID 103032005
1-(3,3-Difluorocyclohexyl)-4-methoxy-4-methylpentan-1-amine
CID 114215905
(2S)-1-[(1R)-3,3-difluorocyclopentyl]-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine
CID 162542424
(2R)-1-[(6R)-4-oxaspiro[2.5]octan-6-yl]pentan-2-amine
CID 59201556
1-{6-Oxaspiro[4.5]decan-9-yl}methanamine
CID 79904928
8-Methoxy-4,8-dimethylnonan-1-amine
CID 88258649
1-Ethoxy-5-ethyloctan-4-amine
CID 139313408
4-Cyclopentyl-4-methoxycyclohexan-1-amine
CID 142274260
trans-(1R,3R)-3-(2-methoxypropan-2-yl)cyclohexan-1-amine
CID 142750709
4-Methoxy-4-methyltridecan-1-amine
CID 152059543

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-cyclopentyl-4-methoxy-4-methylpentan-1-amine (CID 103017192) is 1-cyclopentyl-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-cyclopentyl-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-cyclopentyl-4-methoxy-4-methylpentan-1-amine is COC(C)(C)CCC(N)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-methoxy-4-methylpentan-1-amine?
The InChIKey is DLQXSRMYCIKFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-12(2,14-3)9-8-11(13)10-6-4-5-7-10/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 1-cyclopentyl-4-methoxy-4-methylpentan-1-amine?
1-cyclopentyl-4-methoxy-4-methylpentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103017192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).