1-(aminomethyl)-2-methoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine

C15H31N3O — CID 106872505

IUPAC1-(aminomethyl)-2-methoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
SMILESCOC1CCCCC1(CN)N(C)CCN1CCCC1
InChIInChI=1S/C15H31N3O/c1-17(11-12-18-9-5-6-10-18)15(13-16)8-4-3-7-14(15)19-2/h14H,3-13,16H2,1-2H3
InChIKeyREFTUKOUEIVBMB-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.30
Rot. Bonds6

About 1-(aminomethyl)-2-methoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine

1-(aminomethyl)-2-methoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine (PubChem CID 106872505) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(aminomethyl)-2-methoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-2-methoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
PubChem CID106872505
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-(aminomethyl)-2-methoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
SMILESCOC1CCCCC1(CN)N(C)CCN1CCCC1
InChIInChI=1S/C15H31N3O/c1-17(11-12-18-9-5-6-10-18)15(13-16)8-4-3-7-14(15)19-2/h14H,3-13,16H2,1-2H3
InChIKeyREFTUKOUEIVBMB-UHFFFAOYSA-N
XLogP1.30
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-methoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-2-methoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine (CID 106872505) is 1-(aminomethyl)-2-methoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-2-methoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-2-methoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine is COC1CCCCC1(CN)N(C)CCN1CCCC1.
What is the InChIKey of 1-(aminomethyl)-2-methoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine?
The InChIKey is REFTUKOUEIVBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-17(11-12-18-9-5-6-10-18)15(13-16)8-4-3-7-14(15)19-2/h14H,3-13,16H2,1-2H3.
What are the key properties of 1-(aminomethyl)-2-methoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine?
1-(aminomethyl)-2-methoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-methoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 106872505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).