N-[[4-(methoxymethyl)-1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]methyl]cyclopropanamine

C18H34N2O — CID 139515839

IUPACN-[[4-(methoxymethyl)-1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
SMILESCOCC1(CNC2CC2)CCN(CC2(C)CCCC2)CC1
InChIInChI=1S/C18H34N2O/c1-17(7-3-4-8-17)14-20-11-9-18(10-12-20,15-21-2)13-19-16-5-6-16/h16,19H,3-15H2,1-2H3
InChIKeyFNEDFDGFTBPWBC-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.05
Rot. Bonds7

About N-[[4-(methoxymethyl)-1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]methyl]cyclopropanamine

N-[[4-(methoxymethyl)-1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]methyl]cyclopropanamine (PubChem CID 139515839) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)-1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)-1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
PubChem CID139515839
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-[[4-(methoxymethyl)-1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
SMILESCOCC1(CNC2CC2)CCN(CC2(C)CCCC2)CC1
InChIInChI=1S/C18H34N2O/c1-17(7-3-4-8-17)14-20-11-9-18(10-12-20,15-21-2)13-19-16-5-6-16/h16,19H,3-15H2,1-2H3
InChIKeyFNEDFDGFTBPWBC-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)-1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(methoxymethyl)-1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]methyl]cyclopropanamine (CID 139515839) is N-[[4-(methoxymethyl)-1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(methoxymethyl)-1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(methoxymethyl)-1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]methyl]cyclopropanamine is COCC1(CNC2CC2)CCN(CC2(C)CCCC2)CC1.
What is the InChIKey of N-[[4-(methoxymethyl)-1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]methyl]cyclopropanamine?
The InChIKey is FNEDFDGFTBPWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-17(7-3-4-8-17)14-20-11-9-18(10-12-20,15-21-2)13-19-16-5-6-16/h16,19H,3-15H2,1-2H3.
What are the key properties of N-[[4-(methoxymethyl)-1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]methyl]cyclopropanamine?
N-[[4-(methoxymethyl)-1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]methyl]cyclopropanamine has a molecular weight of 294.48 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)-1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 139515839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).