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

C17H32N2O2 — CID 62272445

IUPACN-[[3-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCCCOC1CCCN(CC2(CNC3CC3)CCOC2)C1
InChIInChI=1S/C17H32N2O2/c1-2-9-21-16-4-3-8-19(11-16)13-17(7-10-20-14-17)12-18-15-5-6-15/h15-16,18H,2-14H2,1H3
InChIKeyWHDYMZZGOSZARQ-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.04
Rot. Bonds8

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

N-[[3-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 62272445) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-[[3-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID62272445
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN-[[3-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCCCOC1CCCN(CC2(CNC3CC3)CCOC2)C1
InChIInChI=1S/C17H32N2O2/c1-2-9-21-16-4-3-8-19(11-16)13-17(7-10-20-14-17)12-18-15-5-6-15/h15-16,18H,2-14H2,1H3
InChIKeyWHDYMZZGOSZARQ-UHFFFAOYSA-N
XLogP2.04
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[1-[(3-propoxypiperidin-1-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 62270781
N-[[3-[(3-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62256133
N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62974429
N-[[3-[(3-ethoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]ethanamine
CID 63741073
4-[(3-propoxypiperidin-1-yl)methyl]oxane-4-carbaldehyde
CID 62391625
N-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 63159777
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63740707
N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62262140
N-[2-(3-propoxypiperidin-1-yl)ethyl]oxan-4-amine
CID 63098996
1-[(4-ethylpiperidin-4-yl)methyl]-3-propoxypiperidine
CID 63129663
N-[[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 79184590
1-[(3-propoxypiperidin-1-yl)methyl]cyclopentan-1-ol
CID 65213272

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 62272445) is N-[[3-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine is CCCOC1CCCN(CC2(CNC3CC3)CCOC2)C1.
What is the InChIKey of N-[[3-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is WHDYMZZGOSZARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-2-9-21-16-4-3-8-19(11-16)13-17(7-10-20-14-17)12-18-15-5-6-15/h15-16,18H,2-14H2,1H3.
What are the key properties of N-[[3-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 296.45 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62272445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).