[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methylcyclohexyl]methanamine

C15H30N2O2 — CID 103534951

IUPAC[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methylcyclohexyl]methanamine
SMILESCOC1CN(CC2(CN)CCC(C)CC2)CC1OC
InChIInChI=1S/C15H30N2O2/c1-12-4-6-15(10-16,7-5-12)11-17-8-13(18-2)14(9-17)19-3/h12-14H,4-11,16H2,1-3H3
InChIKeyJZULZMNKDBPJPY-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.49
Rot. Bonds5

About [1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methylcyclohexyl]methanamine

[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methylcyclohexyl]methanamine (PubChem CID 103534951) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is [1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methylcyclohexyl]methanamine
PubChem CID103534951
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methylcyclohexyl]methanamine
SMILESCOC1CN(CC2(CN)CCC(C)CC2)CC1OC
InChIInChI=1S/C15H30N2O2/c1-12-4-6-15(10-16,7-5-12)11-17-8-13(18-2)14(9-17)19-3/h12-14H,4-11,16H2,1-3H3
InChIKeyJZULZMNKDBPJPY-UHFFFAOYSA-N
XLogP1.49
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylcyclohexyl]methanamine
CID 106587463
[1-(3,4-dimethoxypyrrolidin-1-yl)-4-methylcycloheptyl]methanamine
CID 103531897
[1-[(2,6-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexyl]methanamine
CID 113310568
2-[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]cyclopropyl]acetic acid
CID 103540468
[1-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789457
[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanamine
CID 115453905
[4-methyl-1-(methylaminomethyl)cyclohexyl]methanamine
CID 115442703
[1-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)cyclopentyl]methanamine
CID 114196547
1-[[1-(aminomethyl)cyclopentyl]methyl]azetidin-3-ol
CID 130878081
(4-methyl-1-prop-2-ynylcyclohexyl)methanamine
CID 126977400
[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]oxan-3-yl]methanol
CID 103539291
1-[[1-(bromomethyl)cyclopentyl]methyl]-3-methoxy-4-methylpiperidine
CID 102964345

Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methylcyclohexyl]methanamine?
The IUPAC name of [1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methylcyclohexyl]methanamine (CID 103534951) is [1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methylcyclohexyl]methanamine?
The canonical SMILES for [1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methylcyclohexyl]methanamine is COC1CN(CC2(CN)CCC(C)CC2)CC1OC.
What is the InChIKey of [1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methylcyclohexyl]methanamine?
The InChIKey is JZULZMNKDBPJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12-4-6-15(10-16,7-5-12)11-17-8-13(18-2)14(9-17)19-3/h12-14H,4-11,16H2,1-3H3.
What are the key properties of [1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methylcyclohexyl]methanamine?
[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methylcyclohexyl]methanamine has a molecular weight of 270.42 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 103534951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).