[1-(3-ethylpyrrolidin-1-yl)-3-methoxycyclohexyl]methanamine

C14H28N2O — CID 106872732

IUPAC[1-(3-ethylpyrrolidin-1-yl)-3-methoxycyclohexyl]methanamine
SMILESCCC1CCN(C2(CN)CCCC(OC)C2)C1
InChIInChI=1S/C14H28N2O/c1-3-12-6-8-16(10-12)14(11-15)7-4-5-13(9-14)17-2/h12-13H,3-11,15H2,1-2H3
InChIKeyWIKBHNAKRIGEJJ-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.00
Rot. Bonds4

About [1-(3-ethylpyrrolidin-1-yl)-3-methoxycyclohexyl]methanamine

[1-(3-ethylpyrrolidin-1-yl)-3-methoxycyclohexyl]methanamine (PubChem CID 106872732) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is [1-(3-ethylpyrrolidin-1-yl)-3-methoxycyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-ethylpyrrolidin-1-yl)-3-methoxycyclohexyl]methanamine
PubChem CID106872732
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name[1-(3-ethylpyrrolidin-1-yl)-3-methoxycyclohexyl]methanamine
SMILESCCC1CCN(C2(CN)CCCC(OC)C2)C1
InChIInChI=1S/C14H28N2O/c1-3-12-6-8-16(10-12)14(11-15)7-4-5-13(9-14)17-2/h12-13H,3-11,15H2,1-2H3
InChIKeyWIKBHNAKRIGEJJ-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-ethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429133
[1-(4-ethylpiperazin-1-yl)-3-methoxycyclohexyl]methanamine
CID 106872129
(3-methoxy-1-thiomorpholin-4-ylcyclohexyl)methanamine
CID 106872149
[3-cyclopropyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine
CID 64625427
[1-(3-ethylpiperidin-1-yl)cyclooctyl]methanamine
CID 43584374
[3-ethyl-1-(3-methoxy-4-methylpiperidin-1-yl)cyclopentyl]methanamine
CID 102964836
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429059
[1-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanamine
CID 64569292
[1-(3-ethylmorpholin-4-yl)-3-methoxycyclohexyl]methanamine
CID 106872222
[3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine
CID 106822368
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxycyclohexyl]methanamine
CID 106872571
[1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine
CID 102965147

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethylpyrrolidin-1-yl)-3-methoxycyclohexyl]methanamine?
The IUPAC name of [1-(3-ethylpyrrolidin-1-yl)-3-methoxycyclohexyl]methanamine (CID 106872732) is [1-(3-ethylpyrrolidin-1-yl)-3-methoxycyclohexyl]methanamine.
What is the SMILES notation for [1-(3-ethylpyrrolidin-1-yl)-3-methoxycyclohexyl]methanamine?
The canonical SMILES for [1-(3-ethylpyrrolidin-1-yl)-3-methoxycyclohexyl]methanamine is CCC1CCN(C2(CN)CCCC(OC)C2)C1.
What is the InChIKey of [1-(3-ethylpyrrolidin-1-yl)-3-methoxycyclohexyl]methanamine?
The InChIKey is WIKBHNAKRIGEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-12-6-8-16(10-12)14(11-15)7-4-5-13(9-14)17-2/h12-13H,3-11,15H2,1-2H3.
What are the key properties of [1-(3-ethylpyrrolidin-1-yl)-3-methoxycyclohexyl]methanamine?
[1-(3-ethylpyrrolidin-1-yl)-3-methoxycyclohexyl]methanamine has a molecular weight of 240.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethylpyrrolidin-1-yl)-3-methoxycyclohexyl]methanamine is sourced from PubChem (CID 106872732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).