[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine

C15H28N2O — CID 79902247

IUPAC[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(C2CCOC3(CCCCC3)C2)C1
InChIInChI=1S/C15H28N2O/c16-11-13-4-8-17(12-13)14-5-9-18-15(10-14)6-2-1-3-7-15/h13-14H,1-12,16H2
InChIKeySCNMWMIFXQVFOQ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.15
Rot. Bonds2

About [1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine

[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine (PubChem CID 79902247) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is [1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine
PubChem CID79902247
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(C2CCOC3(CCCCC3)C2)C1
InChIInChI=1S/C15H28N2O/c16-11-13-4-8-17(12-13)14-5-9-18-15(10-14)6-2-1-3-7-15/h13-14H,1-12,16H2
InChIKeySCNMWMIFXQVFOQ-UHFFFAOYSA-N
XLogP2.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine with MolForge

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Related Compounds

1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine
CID 79900905
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
CID 79901731
N-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 79900888
2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid
CID 79902227
(3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine
CID 115302425
2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid
CID 79894445
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-amine
CID 79904478
[4-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanamine
CID 103353008
3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine
CID 79902020
2-[4-(1-oxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propan-1-amine
CID 79901324
N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine
CID 79900304
[6,6-dimethyl-4-(6-oxaspiro[4.5]decan-9-yl)morpholin-2-yl]methanamine
CID 114782506

Frequently Asked Questions

What is the IUPAC name of [1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine (CID 79902247) is [1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine is NCC1CCN(C2CCOC3(CCCCC3)C2)C1.
What is the InChIKey of [1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is SCNMWMIFXQVFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c16-11-13-4-8-17(12-13)14-5-9-18-15(10-14)6-2-1-3-7-15/h13-14H,1-12,16H2.
What are the key properties of [1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine?
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 252.40 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 79902247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).