N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]cyclopropanamine

C17H33N3 — CID 107912652

IUPACN-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]cyclopropanamine
SMILESCN1CCCCC1CCN1CCCC(CNC2CC2)C1
InChIInChI=1S/C17H33N3/c1-19-10-3-2-6-17(19)9-12-20-11-4-5-15(14-20)13-18-16-7-8-16/h15-18H,2-14H2,1H3
InChIKeyAZAHMNCTEQMLIZ-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.32
Rot. Bonds6

About N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]cyclopropanamine

N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]cyclopropanamine (PubChem CID 107912652) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]cyclopropanamine
PubChem CID107912652
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]cyclopropanamine
SMILESCN1CCCCC1CCN1CCCC(CNC2CC2)C1
InChIInChI=1S/C17H33N3/c1-19-10-3-2-6-17(19)9-12-20-11-4-5-15(14-20)13-18-16-7-8-16/h15-18H,2-14H2,1H3
InChIKeyAZAHMNCTEQMLIZ-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]propan-1-amine
CID 107912651
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-ol
CID 60689916
N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]ethanamine
CID 107910860
4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol
CID 79354897
N-[(1-ethylpiperidin-3-yl)methyl]cyclopentanamine;hydrochloride
CID 115597495
N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine
CID 103180319
2-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-yl]ethanamine
CID 114015284
N-[[1-(methoxymethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 65365085
1-methyl-N-[(1-methylpiperidin-2-yl)methyl]piperidin-3-amine
CID 62656973
N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-yl]methanamine
CID 55176250
4-ethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine
CID 103626242

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]cyclopropanamine (CID 107912652) is N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]cyclopropanamine is CN1CCCCC1CCN1CCCC(CNC2CC2)C1.
What is the InChIKey of N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]cyclopropanamine?
The InChIKey is AZAHMNCTEQMLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-19-10-3-2-6-17(19)9-12-20-11-4-5-15(14-20)13-18-16-7-8-16/h15-18H,2-14H2,1H3.
What are the key properties of N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]cyclopropanamine?
N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]cyclopropanamine has a molecular weight of 279.47 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107912652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).