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

C18H34N2O — CID 62270781

IUPACN-[[1-[(3-propoxypiperidin-1-yl)methyl]cyclopentyl]methyl]cyclopropanamine
SMILESCCCOC1CCCN(CC2(CNC3CC3)CCCC2)C1
InChIInChI=1S/C18H34N2O/c1-2-12-21-17-6-5-11-20(13-17)15-18(9-3-4-10-18)14-19-16-7-8-16/h16-17,19H,2-15H2,1H3
InChIKeyNMPMYKSEEJHUFS-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.19
Rot. Bonds8

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

N-[[1-[(3-propoxypiperidin-1-yl)methyl]cyclopentyl]methyl]cyclopropanamine (PubChem CID 62270781) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-[[1-[(3-propoxypiperidin-1-yl)methyl]cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3-propoxypiperidin-1-yl)methyl]cyclopentyl]methyl]cyclopropanamine
PubChem CID62270781
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-[[1-[(3-propoxypiperidin-1-yl)methyl]cyclopentyl]methyl]cyclopropanamine
SMILESCCCOC1CCCN(CC2(CNC3CC3)CCCC2)C1
InChIInChI=1S/C18H34N2O/c1-2-12-21-17-6-5-11-20(13-17)15-18(9-3-4-10-18)14-19-16-7-8-16/h16-17,19H,2-15H2,1H3
InChIKeyNMPMYKSEEJHUFS-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62272445
1-[(3-propoxypiperidin-1-yl)methyl]cyclopentan-1-ol
CID 65213272
1-[(4-ethylpiperidin-4-yl)methyl]-3-propoxypiperidine
CID 63129663
N-[[1-[(3-methoxypiperidin-1-yl)methyl]-3-methylcyclohexyl]methyl]cyclopropanamine
CID 102967366
N-[[1-[(3-methoxypiperidin-1-yl)methyl]cycloheptyl]methyl]propan-1-amine
CID 102967363
N'-hydroxy-2-[1-[(3-propoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 77071383
2-[1-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]piperidin-3-yl]ethanol
CID 107228887
N-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 102967390
N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 65282297
N-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine
CID 62563284
1-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-4-methylpiperidin-3-ol
CID 102967067
N-[2-methyl-2-[(3-propoxypiperidin-1-yl)methyl]butyl]cyclopropanamine
CID 62272802

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-propoxypiperidin-1-yl)methyl]cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3-propoxypiperidin-1-yl)methyl]cyclopentyl]methyl]cyclopropanamine (CID 62270781) is N-[[1-[(3-propoxypiperidin-1-yl)methyl]cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3-propoxypiperidin-1-yl)methyl]cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3-propoxypiperidin-1-yl)methyl]cyclopentyl]methyl]cyclopropanamine is CCCOC1CCCN(CC2(CNC3CC3)CCCC2)C1.
What is the InChIKey of N-[[1-[(3-propoxypiperidin-1-yl)methyl]cyclopentyl]methyl]cyclopropanamine?
The InChIKey is NMPMYKSEEJHUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-2-12-21-17-6-5-11-20(13-17)15-18(9-3-4-10-18)14-19-16-7-8-16/h16-17,19H,2-15H2,1H3.
What are the key properties of N-[[1-[(3-propoxypiperidin-1-yl)methyl]cyclopentyl]methyl]cyclopropanamine?
N-[[1-[(3-propoxypiperidin-1-yl)methyl]cyclopentyl]methyl]cyclopropanamine has a molecular weight of 294.48 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-propoxypiperidin-1-yl)methyl]cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 62270781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).