N-[oxolan-3-yl-(1-piperidin-1-ylcyclopentyl)methyl]propan-1-amine

C18H34N2O — CID 79057766

IUPACN-[oxolan-3-yl-(1-piperidin-1-ylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(C1CCOC1)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C18H34N2O/c1-2-11-19-17(16-8-14-21-15-16)18(9-4-5-10-18)20-12-6-3-7-13-20/h16-17,19H,2-15H2,1H3
InChIKeyZFUDNEXNFZVMHH-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.19
Rot. Bonds6

About N-[oxolan-3-yl-(1-piperidin-1-ylcyclopentyl)methyl]propan-1-amine

N-[oxolan-3-yl-(1-piperidin-1-ylcyclopentyl)methyl]propan-1-amine (PubChem CID 79057766) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-[oxolan-3-yl-(1-piperidin-1-ylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxolan-3-yl-(1-piperidin-1-ylcyclopentyl)methyl]propan-1-amine
PubChem CID79057766
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-[oxolan-3-yl-(1-piperidin-1-ylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(C1CCOC1)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C18H34N2O/c1-2-11-19-17(16-8-14-21-15-16)18(9-4-5-10-18)20-12-6-3-7-13-20/h16-17,19H,2-15H2,1H3
InChIKeyZFUDNEXNFZVMHH-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

CID 155348619
CID 155348619
CID 55242032
CID 55242032
CID 64108663
CID 64108663
CID 64108866
CID 64108866
CID 64108867
CID 64108867
CID 64848384
CID 64848384
CID 64849426
CID 64849426
CID 64876222
CID 64876222
CID 64877576
CID 64877576
CID 65170041
CID 65170041
CID 65170179
CID 65170179
CID 65170232
CID 65170232

Frequently Asked Questions

What is the IUPAC name of N-[oxolan-3-yl-(1-piperidin-1-ylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[oxolan-3-yl-(1-piperidin-1-ylcyclopentyl)methyl]propan-1-amine (CID 79057766) is N-[oxolan-3-yl-(1-piperidin-1-ylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[oxolan-3-yl-(1-piperidin-1-ylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[oxolan-3-yl-(1-piperidin-1-ylcyclopentyl)methyl]propan-1-amine is CCCNC(C1CCOC1)C1(N2CCCCC2)CCCC1.
What is the InChIKey of N-[oxolan-3-yl-(1-piperidin-1-ylcyclopentyl)methyl]propan-1-amine?
The InChIKey is ZFUDNEXNFZVMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-2-11-19-17(16-8-14-21-15-16)18(9-4-5-10-18)20-12-6-3-7-13-20/h16-17,19H,2-15H2,1H3.
What are the key properties of N-[oxolan-3-yl-(1-piperidin-1-ylcyclopentyl)methyl]propan-1-amine?
N-[oxolan-3-yl-(1-piperidin-1-ylcyclopentyl)methyl]propan-1-amine has a molecular weight of 294.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxolan-3-yl-(1-piperidin-1-ylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 79057766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).