N-[2-methyl-2-[(3-propoxypiperidin-1-yl)methyl]butyl]cyclopropanamine

C17H34N2O — CID 62272802

IUPACN-[2-methyl-2-[(3-propoxypiperidin-1-yl)methyl]butyl]cyclopropanamine
SMILESCCCOC1CCCN(CC(C)(CC)CNC2CC2)C1
InChIInChI=1S/C17H34N2O/c1-4-11-20-16-7-6-10-19(12-16)14-17(3,5-2)13-18-15-8-9-15/h15-16,18H,4-14H2,1-3H3
InChIKeyZPYCUSGGLRIQAK-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.05
Rot. Bonds9

About N-[2-methyl-2-[(3-propoxypiperidin-1-yl)methyl]butyl]cyclopropanamine

N-[2-methyl-2-[(3-propoxypiperidin-1-yl)methyl]butyl]cyclopropanamine (PubChem CID 62272802) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-[2-methyl-2-[(3-propoxypiperidin-1-yl)methyl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-2-[(3-propoxypiperidin-1-yl)methyl]butyl]cyclopropanamine
PubChem CID62272802
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-[2-methyl-2-[(3-propoxypiperidin-1-yl)methyl]butyl]cyclopropanamine
SMILESCCCOC1CCCN(CC(C)(CC)CNC2CC2)C1
InChIInChI=1S/C17H34N2O/c1-4-11-20-16-7-6-10-19(12-16)14-17(3,5-2)13-18-15-8-9-15/h15-16,18H,4-14H2,1-3H3
InChIKeyZPYCUSGGLRIQAK-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butyl]cyclopropanamine
CID 62262258
2-methyl-1-(3-propoxypiperidin-1-yl)butan-2-ol
CID 114495488
N-[2-[(3-ethoxypiperidin-1-yl)methyl]-2-ethylbutyl]cyclopropanamine
CID 62270798
1-(3-bromo-2,2-dimethylpropyl)-3-propoxypiperidine
CID 65000316
1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]pyrrolidin-3-ol
CID 62943597
N-[2-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butyl]cyclopropanamine
CID 114539578
N-[2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 65281916
2-[(3-ethoxypiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine
CID 62271911
N-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine
CID 62563284
N-[[1-[(3-propoxypiperidin-1-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 62270781
N-[2-methyl-2-(thiomorpholin-4-ylmethyl)butyl]cyclopropanamine
CID 62262514
N-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine
CID 62261563

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-[(3-propoxypiperidin-1-yl)methyl]butyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-2-[(3-propoxypiperidin-1-yl)methyl]butyl]cyclopropanamine (CID 62272802) is N-[2-methyl-2-[(3-propoxypiperidin-1-yl)methyl]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-2-[(3-propoxypiperidin-1-yl)methyl]butyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-2-[(3-propoxypiperidin-1-yl)methyl]butyl]cyclopropanamine is CCCOC1CCCN(CC(C)(CC)CNC2CC2)C1.
What is the InChIKey of N-[2-methyl-2-[(3-propoxypiperidin-1-yl)methyl]butyl]cyclopropanamine?
The InChIKey is ZPYCUSGGLRIQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-11-20-16-7-6-10-19(12-16)14-17(3,5-2)13-18-15-8-9-15/h15-16,18H,4-14H2,1-3H3.
What are the key properties of N-[2-methyl-2-[(3-propoxypiperidin-1-yl)methyl]butyl]cyclopropanamine?
N-[2-methyl-2-[(3-propoxypiperidin-1-yl)methyl]butyl]cyclopropanamine has a molecular weight of 282.47 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-[(3-propoxypiperidin-1-yl)methyl]butyl]cyclopropanamine is sourced from PubChem (CID 62272802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).