[1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxycyclohexyl]methanamine

C15H30N2O — CID 113414484

IUPAC[1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxycyclohexyl]methanamine
SMILESCCC1CCC(C)N1C1(CN)CCC(OC)CC1
InChIInChI=1S/C15H30N2O/c1-4-13-6-5-12(2)17(13)15(11-16)9-7-14(18-3)8-10-15/h12-14H,4-11,16H2,1-3H3
InChIKeyQMGNPGQCQBVTTQ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.54
Rot. Bonds4

About [1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxycyclohexyl]methanamine

[1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxycyclohexyl]methanamine (PubChem CID 113414484) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is [1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxycyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxycyclohexyl]methanamine
PubChem CID113414484
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name[1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxycyclohexyl]methanamine
SMILESCCC1CCC(C)N1C1(CN)CCC(OC)CC1
InChIInChI=1S/C15H30N2O/c1-4-13-6-5-12(2)17(13)15(11-16)9-7-14(18-3)8-10-15/h12-14H,4-11,16H2,1-3H3
InChIKeyQMGNPGQCQBVTTQ-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 83227608
[4-(2-ethyl-5-methylpyrrolidin-1-yl)thian-4-yl]methanamine
CID 83227600
[3-ethyl-1-(2-ethyl-5-methylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 83228240
[1-(2-ethyl-5-methylpyrrolidin-1-yl)-3,4-dimethylcyclohexyl]methanamine
CID 83226884
[3-cyclopropyl-1-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 83227967
[1-(2-ethylpiperidin-1-yl)-3-methoxycyclobutyl]methanamine
CID 106821751
[1-(2,5-dimethylpiperidin-1-yl)-3-methoxycyclobutyl]methanamine
CID 106822186
[1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-propan-2-ylcyclohexyl]methanamine
CID 83228059
[1-(3-ethylmorpholin-4-yl)-3-methoxycyclohexyl]methanamine
CID 106872222
[3-ethyl-1-(3-methoxy-4-methylpiperidin-1-yl)cyclopentyl]methanamine
CID 102964836
[1-(3,4-dimethoxypyrrolidin-1-yl)-4-methylcycloheptyl]methanamine
CID 103531897
2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(1-methylcyclopropyl)propan-1-amine
CID 83227173

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxycyclohexyl]methanamine?
The IUPAC name of [1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxycyclohexyl]methanamine (CID 113414484) is [1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxycyclohexyl]methanamine.
What is the SMILES notation for [1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxycyclohexyl]methanamine?
The canonical SMILES for [1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxycyclohexyl]methanamine is CCC1CCC(C)N1C1(CN)CCC(OC)CC1.
What is the InChIKey of [1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxycyclohexyl]methanamine?
The InChIKey is QMGNPGQCQBVTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-13-6-5-12(2)17(13)15(11-16)9-7-14(18-3)8-10-15/h12-14H,4-11,16H2,1-3H3.
What are the key properties of [1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxycyclohexyl]methanamine?
[1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxycyclohexyl]methanamine has a molecular weight of 254.42 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxycyclohexyl]methanamine is sourced from PubChem (CID 113414484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).