N-[2-(3-methoxypiperidin-1-yl)-3-methylbutyl]cyclopropanamine

C14H28N2O — CID 102968127

IUPACN-[2-(3-methoxypiperidin-1-yl)-3-methylbutyl]cyclopropanamine
SMILESCOC1CCCN(C(CNC2CC2)C(C)C)C1
InChIInChI=1S/C14H28N2O/c1-11(2)14(9-15-12-6-7-12)16-8-4-5-13(10-16)17-3/h11-15H,4-10H2,1-3H3
InChIKeyADWWQCLUSQDNKE-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.87
Rot. Bonds6

About N-[2-(3-methoxypiperidin-1-yl)-3-methylbutyl]cyclopropanamine

N-[2-(3-methoxypiperidin-1-yl)-3-methylbutyl]cyclopropanamine (PubChem CID 102968127) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[2-(3-methoxypiperidin-1-yl)-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-methoxypiperidin-1-yl)-3-methylbutyl]cyclopropanamine
PubChem CID102968127
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[2-(3-methoxypiperidin-1-yl)-3-methylbutyl]cyclopropanamine
SMILESCOC1CCCN(C(CNC2CC2)C(C)C)C1
InChIInChI=1S/C14H28N2O/c1-11(2)14(9-15-12-6-7-12)16-8-4-5-13(10-16)17-3/h11-15H,4-10H2,1-3H3
InChIKeyADWWQCLUSQDNKE-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-2-(3-methylpiperidin-1-yl)butyl]cyclopropanamine
CID 62437767
N-[2-(3-methoxypiperidin-1-yl)propyl]cyclohexanamine
CID 102968384
N-[2-(4,4-dimethylazepan-1-yl)-3-methylbutyl]cyclopropanamine
CID 65286954
N-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine
CID 63167031
N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidin-4-amine
CID 54902639
methanol;3-methoxy-1-propan-2-ylpiperidine
CID 172576314
N-[2-(3-methoxypiperidin-1-yl)propyl]-3-methylbutan-1-amine
CID 102968396
3-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 102968159
2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine
CID 102968134
3-(3-methoxypiperidin-1-yl)-2-methylbutan-1-amine
CID 102968184
N-[3-(3-ethoxypiperidin-1-yl)-2-methylbutyl]cyclopropanamine
CID 79414132
N-[2-(4-tert-butylpiperidin-1-yl)-3-methylbutyl]cyclopropanamine
CID 62413695

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypiperidin-1-yl)-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-(3-methoxypiperidin-1-yl)-3-methylbutyl]cyclopropanamine (CID 102968127) is N-[2-(3-methoxypiperidin-1-yl)-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-methoxypiperidin-1-yl)-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-methoxypiperidin-1-yl)-3-methylbutyl]cyclopropanamine is COC1CCCN(C(CNC2CC2)C(C)C)C1.
What is the InChIKey of N-[2-(3-methoxypiperidin-1-yl)-3-methylbutyl]cyclopropanamine?
The InChIKey is ADWWQCLUSQDNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)14(9-15-12-6-7-12)16-8-4-5-13(10-16)17-3/h11-15H,4-10H2,1-3H3.
What are the key properties of N-[2-(3-methoxypiperidin-1-yl)-3-methylbutyl]cyclopropanamine?
N-[2-(3-methoxypiperidin-1-yl)-3-methylbutyl]cyclopropanamine has a molecular weight of 240.39 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypiperidin-1-yl)-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 102968127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).