2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C18H34N2O — CID 106617362

IUPAC2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCC(C)CN(CC1CCCN1)CC1CCC2(CCCC2)O1
InChIInChI=1S/C18H34N2O/c1-15(2)12-20(13-16-6-5-11-19-16)14-17-7-10-18(21-17)8-3-4-9-18/h15-17,19H,3-14H2,1-2H3
InChIKeyFVLAIRDESXBGFI-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.19
Rot. Bonds6

About 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine

2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106617362) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106617362
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCC(C)CN(CC1CCCN1)CC1CCC2(CCCC2)O1
InChIInChI=1S/C18H34N2O/c1-15(2)12-20(13-16-6-5-11-19-16)14-17-7-10-18(21-17)8-3-4-9-18/h15-17,19H,3-14H2,1-2H3
InChIKeyFVLAIRDESXBGFI-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 61378673
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614880
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)octan-1-amine
CID 106605331
1-ethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
CID 106611291
N-[(4-chlorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605569
N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605191
N-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617190
2-[2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]ethoxy]ethanol
CID 106617137
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605584
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pentan-3-amine
CID 106605357
N-[(4-iodophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617091
2-hydroxy-2-methyl-3-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106617049

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106617362) is 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CC(C)CN(CC1CCCN1)CC1CCC2(CCCC2)O1.
What is the InChIKey of 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is FVLAIRDESXBGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-15(2)12-20(13-16-6-5-11-19-16)14-17-7-10-18(21-17)8-3-4-9-18/h15-17,19H,3-14H2,1-2H3.
What are the key properties of 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 294.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106617362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).