N-propyl-N-(pyrrolidin-2-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine

C16H30N2O — CID 106615927

IUPACN-propyl-N-(pyrrolidin-2-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCCCN(CC1CCCN1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H30N2O/c1-2-10-18(13-14-5-3-9-17-14)15-6-11-19-16(12-15)7-4-8-16/h14-15,17H,2-13H2,1H3
InChIKeyXXGVDVBNVOXYCA-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.55
Rot. Bonds5

About N-propyl-N-(pyrrolidin-2-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine

N-propyl-N-(pyrrolidin-2-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 106615927) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-propyl-N-(pyrrolidin-2-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-propyl-N-(pyrrolidin-2-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID106615927
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-propyl-N-(pyrrolidin-2-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCCCN(CC1CCCN1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H30N2O/c1-2-10-18(13-14-5-3-9-17-14)15-6-11-19-16(12-15)7-4-8-16/h14-15,17H,2-13H2,1H3
InChIKeyXXGVDVBNVOXYCA-UHFFFAOYSA-N
XLogP2.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-N-(pyrrolidin-2-ylmethyl)-6-oxaspiro[4.5]decan-9-amine
CID 106615997
N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
CID 106604067
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]ethanol
CID 79919770
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 106599659
N-(piperidin-2-ylmethyl)-N-propan-2-yl-5-oxaspiro[3.5]nonan-8-amine
CID 106632077
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-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]ethanol
CID 79919654
N-ethyl-N-(piperidin-2-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 106632717
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid
CID 79894587
N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propylpropane-1,3-diamine
CID 79904792
2,2-dimethyl-N'-(5-oxaspiro[3.5]nonan-8-yl)-N'-propylpropane-1,3-diamine
CID 79898830

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(pyrrolidin-2-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-propyl-N-(pyrrolidin-2-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine (CID 106615927) is N-propyl-N-(pyrrolidin-2-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-propyl-N-(pyrrolidin-2-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-propyl-N-(pyrrolidin-2-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine is CCCN(CC1CCCN1)C1CCOC2(CCC2)C1.
What is the InChIKey of N-propyl-N-(pyrrolidin-2-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is XXGVDVBNVOXYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-10-18(13-14-5-3-9-17-14)15-6-11-19-16(12-15)7-4-8-16/h14-15,17H,2-13H2,1H3.
What are the key properties of N-propyl-N-(pyrrolidin-2-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine?
N-propyl-N-(pyrrolidin-2-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 266.43 g/mol, XLogP of 2.55, 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)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 106615927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).