N-propyl-N-(pyrrolidin-2-ylmethyl)-6-oxaspiro[4.5]decan-9-amine

C17H32N2O — CID 106615997

IUPACN-propyl-N-(pyrrolidin-2-ylmethyl)-6-oxaspiro[4.5]decan-9-amine
SMILESCCCN(CC1CCCN1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H32N2O/c1-2-11-19(14-15-6-5-10-18-15)16-7-12-20-17(13-16)8-3-4-9-17/h15-16,18H,2-14H2,1H3
InChIKeyUFJPCRSYOGWFEC-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.94
Rot. Bonds5

About N-propyl-N-(pyrrolidin-2-ylmethyl)-6-oxaspiro[4.5]decan-9-amine

N-propyl-N-(pyrrolidin-2-ylmethyl)-6-oxaspiro[4.5]decan-9-amine (PubChem CID 106615997) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-propyl-N-(pyrrolidin-2-ylmethyl)-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-propyl-N-(pyrrolidin-2-ylmethyl)-6-oxaspiro[4.5]decan-9-amine
PubChem CID106615997
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-propyl-N-(pyrrolidin-2-ylmethyl)-6-oxaspiro[4.5]decan-9-amine
SMILESCCCN(CC1CCCN1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H32N2O/c1-2-11-19(14-15-6-5-10-18-15)16-7-12-20-17(13-16)8-3-4-9-17/h15-16,18H,2-14H2,1H3
InChIKeyUFJPCRSYOGWFEC-UHFFFAOYSA-N
XLogP2.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-N-(pyrrolidin-2-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 106615927
N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
CID 106604067
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 106599659
2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]ethanol
CID 79919654
N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propylpropane-1,3-diamine
CID 79904792
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
N-butyl-N-(pyrrolidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 106604774
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]ethanol
CID 79919770
N-ethyl-N-(piperidin-2-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 106632717
N-(piperidin-2-ylmethyl)-N-propan-2-yl-5-oxaspiro[3.5]nonan-8-amine
CID 106632077
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid
CID 79894587
N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898283

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(pyrrolidin-2-ylmethyl)-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-propyl-N-(pyrrolidin-2-ylmethyl)-6-oxaspiro[4.5]decan-9-amine (CID 106615997) is N-propyl-N-(pyrrolidin-2-ylmethyl)-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-propyl-N-(pyrrolidin-2-ylmethyl)-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-propyl-N-(pyrrolidin-2-ylmethyl)-6-oxaspiro[4.5]decan-9-amine is CCCN(CC1CCCN1)C1CCOC2(CCCC2)C1.
What is the InChIKey of N-propyl-N-(pyrrolidin-2-ylmethyl)-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is UFJPCRSYOGWFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-11-19(14-15-6-5-10-18-15)16-7-12-20-17(13-16)8-3-4-9-17/h15-16,18H,2-14H2,1H3.
What are the key properties of N-propyl-N-(pyrrolidin-2-ylmethyl)-6-oxaspiro[4.5]decan-9-amine?
N-propyl-N-(pyrrolidin-2-ylmethyl)-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 280.46 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(pyrrolidin-2-ylmethyl)-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 106615997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).