N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpyrrolidin-3-amine

C16H30N2O — CID 102899394

IUPACN-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpyrrolidin-3-amine
SMILESCCCN(CC1CCC2(CCCC2)O1)C1CCNC1
InChIInChI=1S/C16H30N2O/c1-2-11-18(14-6-10-17-12-14)13-15-5-9-16(19-15)7-3-4-8-16/h14-15,17H,2-13H2,1H3
InChIKeyFFZPREVWCRNRJH-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.55
Rot. Bonds5

About N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpyrrolidin-3-amine

N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpyrrolidin-3-amine (PubChem CID 102899394) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpyrrolidin-3-amine
PubChem CID102899394
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpyrrolidin-3-amine
SMILESCCCN(CC1CCC2(CCCC2)O1)C1CCNC1
InChIInChI=1S/C16H30N2O/c1-2-11-18(14-6-10-17-12-14)13-15-5-9-16(19-15)7-3-4-8-16/h14-15,17H,2-13H2,1H3
InChIKeyFFZPREVWCRNRJH-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-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propylazetidin-3-amine
CID 102899443
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylpiperidin-4-amine
CID 116522849
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylazetidin-3-amine
CID 116522896
N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropanamine
CID 102900766
2-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848057
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethylpiperidin-3-amine
CID 116522873
N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-piperidin-3-ylmethanamine
CID 106637126
N-(3-bromopropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine
CID 102900988
N'-cyclopentyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine
CID 102896430
N-(1,3-dioxan-4-ylmethyl)-N-propylpiperidin-3-amine
CID 63637854
N-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine
CID 60806655
N'-cyclohexyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine
CID 102896432

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpyrrolidin-3-amine?
The IUPAC name of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpyrrolidin-3-amine (CID 102899394) is N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpyrrolidin-3-amine is CCCN(CC1CCC2(CCCC2)O1)C1CCNC1.
What is the InChIKey of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpyrrolidin-3-amine?
The InChIKey is FFZPREVWCRNRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-11-18(14-6-10-17-12-14)13-15-5-9-16(19-15)7-3-4-8-16/h14-15,17H,2-13H2,1H3.
What are the key properties of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpyrrolidin-3-amine?
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpyrrolidin-3-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-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 102899394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).