4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine

C13H26N2O — CID 104530001

IUPAC4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine
SMILESCOC1CCC(NCC2CCCN2C)CC1
InChIInChI=1S/C13H26N2O/c1-15-9-3-4-12(15)10-14-11-5-7-13(16-2)8-6-11/h11-14H,3-10H2,1-2H3
InChIKeyBELIPMPBWWYVMU-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds4

About 4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine

4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine (PubChem CID 104530001) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine
PubChem CID104530001
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine
SMILESCOC1CCC(NCC2CCCN2C)CC1
InChIInChI=1S/C13H26N2O/c1-15-9-3-4-12(15)10-14-11-5-7-13(16-2)8-6-11/h11-14H,3-10H2,1-2H3
InChIKeyBELIPMPBWWYVMU-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine
CID 104871157
4-[(1-methylpyrrolidin-2-yl)methylamino]cyclohexan-1-ol
CID 58858777
4-ethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine
CID 103626242
ethyl 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxylate
CID 103749538
N-[(1-methylpyrrolidin-2-yl)methyl]oxolan-3-amine
CID 115688929
1,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine
CID 115712513
1-cyclopropyl-N-[(1-methylpiperidin-2-yl)methyl]piperidin-4-amine
CID 62659058
1-methyl-N-[(1-methylpiperidin-2-yl)methyl]piperidin-3-amine
CID 62656973
4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxamide
CID 103778909
1-(3-methylbut-2-enyl)-N-[(1-methylpyrrolidin-2-yl)methyl]piperidin-4-amine
CID 103778951
2-methoxy-1-[4-[(1-methylpiperidin-2-yl)methylamino]piperidin-1-yl]ethanone
CID 62659613
3,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]cyclohexan-1-amine
CID 64752221

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine (CID 104530001) is 4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine is COC1CCC(NCC2CCCN2C)CC1.
What is the InChIKey of 4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is BELIPMPBWWYVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-15-9-3-4-12(15)10-14-11-5-7-13(16-2)8-6-11/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine?
4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 104530001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).