N-(cyclopentylmethyl)-2,2-dimethoxy-N-methylethanamine

C11H23NO2 — CID 66222142

IUPACN-(cyclopentylmethyl)-2,2-dimethoxy-N-methylethanamine
SMILESCOC(CN(C)CC1CCCC1)OC
InChIInChI=1S/C11H23NO2/c1-12(9-11(13-2)14-3)8-10-6-4-5-7-10/h10-11H,4-9H2,1-3H3
InChIKeyHDJWCLKIIIJPIC-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.73
Rot. Bonds6

About N-(cyclopentylmethyl)-2,2-dimethoxy-N-methylethanamine

N-(cyclopentylmethyl)-2,2-dimethoxy-N-methylethanamine (PubChem CID 66222142) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2,2-dimethoxy-N-methylethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2,2-dimethoxy-N-methylethanamine
PubChem CID66222142
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-(cyclopentylmethyl)-2,2-dimethoxy-N-methylethanamine
SMILESCOC(CN(C)CC1CCCC1)OC
InChIInChI=1S/C11H23NO2/c1-12(9-11(13-2)14-3)8-10-6-4-5-7-10/h10-11H,4-9H2,1-3H3
InChIKeyHDJWCLKIIIJPIC-UHFFFAOYSA-N
XLogP1.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 66220841
N-(cyclopropylmethyl)-2,2-diethoxy-N-methylethanamine
CID 63618697
3-N-(cyclopentylmethyl)-3-N-methylpropane-1,2,3-triamine
CID 115119915
methyl 2-amino-3-[cyclopentylmethyl(methyl)amino]propanoate
CID 63632179
N-(chloromethyl)-1-cyclopentyl-N-methylmethanamine
CID 115263271
1-[cyclopentylmethyl(methyl)amino]butan-2-ol
CID 63631897
1-[cyclohexylmethyl(methyl)amino]butan-2-ol
CID 61446730
2-[cyclohexylmethyl(methyl)amino]-1-cyclopropylethanol
CID 63906781
3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol
CID 82851087
1-N-(cyclobutylmethyl)-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 107505670
N'-(cyclobutylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine
CID 104745978
1-cyclohexyl-N'-(cyclohexylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 104745310

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2,2-dimethoxy-N-methylethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2,2-dimethoxy-N-methylethanamine (CID 66222142) is N-(cyclopentylmethyl)-2,2-dimethoxy-N-methylethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2,2-dimethoxy-N-methylethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2,2-dimethoxy-N-methylethanamine is COC(CN(C)CC1CCCC1)OC.
What is the InChIKey of N-(cyclopentylmethyl)-2,2-dimethoxy-N-methylethanamine?
The InChIKey is HDJWCLKIIIJPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-12(9-11(13-2)14-3)8-10-6-4-5-7-10/h10-11H,4-9H2,1-3H3.
What are the key properties of N-(cyclopentylmethyl)-2,2-dimethoxy-N-methylethanamine?
N-(cyclopentylmethyl)-2,2-dimethoxy-N-methylethanamine has a molecular weight of 201.31 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2,2-dimethoxy-N-methylethanamine is sourced from PubChem (CID 66222142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).