N-methyl-N-[3-(oxolan-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine

C18H34N2O — CID 56707853

IUPACN-methyl-N-[3-(oxolan-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine
SMILESCN(CCCC1CCCO1)C1CCC2(CCNCC2)CC1
InChIInChI=1S/C18H34N2O/c1-20(14-2-4-17-5-3-15-21-17)16-6-8-18(9-7-16)10-12-19-13-11-18/h16-17,19H,2-15H2,1H3
InChIKeyYMJIBEVNIBLISS-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.19
Rot. Bonds5

About N-methyl-N-[3-(oxolan-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine

N-methyl-N-[3-(oxolan-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine (PubChem CID 56707853) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-methyl-N-[3-(oxolan-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound NameN-methyl-N-[3-(oxolan-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine
PubChem CID56707853
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-methyl-N-[3-(oxolan-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine
SMILESCN(CCCC1CCCO1)C1CCC2(CCNCC2)CC1
InChIInChI=1S/C18H34N2O/c1-20(14-2-4-17-5-3-15-21-17)16-6-8-18(9-7-16)10-12-19-13-11-18/h16-17,19H,2-15H2,1H3
InChIKeyYMJIBEVNIBLISS-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(oxolan-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine?
The IUPAC name of N-methyl-N-[3-(oxolan-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine (CID 56707853) is N-methyl-N-[3-(oxolan-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine.
What is the SMILES notation for N-methyl-N-[3-(oxolan-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine?
The canonical SMILES for N-methyl-N-[3-(oxolan-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine is CN(CCCC1CCCO1)C1CCC2(CCNCC2)CC1.
What is the InChIKey of N-methyl-N-[3-(oxolan-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine?
The InChIKey is YMJIBEVNIBLISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-20(14-2-4-17-5-3-15-21-17)16-6-8-18(9-7-16)10-12-19-13-11-18/h16-17,19H,2-15H2,1H3.
What are the key properties of N-methyl-N-[3-(oxolan-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine?
N-methyl-N-[3-(oxolan-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine has a molecular weight of 294.48 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(oxolan-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 56707853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).