N-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine

C16H29NO — CID 79920797

IUPACN-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine
SMILESCNC1CCCCCC1C1CCOC2(CCC2)C1
InChIInChI=1S/C16H29NO/c1-17-15-7-4-2-3-6-14(15)13-8-11-18-16(12-13)9-5-10-16/h13-15,17H,2-12H2,1H3
InChIKeyWRDVEMSAEDOHGM-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.50
Rot. Bonds2

About N-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine

N-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine (PubChem CID 79920797) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine
PubChem CID79920797
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine
SMILESCNC1CCCCCC1C1CCOC2(CCC2)C1
InChIInChI=1S/C16H29NO/c1-17-15-7-4-2-3-6-14(15)13-8-11-18-16(12-13)9-5-10-16/h13-15,17H,2-12H2,1H3
InChIKeyWRDVEMSAEDOHGM-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-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-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcycloheptan-1-amine
CID 79919575
2-(6-oxaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine
CID 79920486
N-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
CID 81027223
4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane
CID 79919900
N-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cycloheptan-1-amine
CID 79923380
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcyclopentan-1-amine
CID 79922466
N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methyl]propan-2-amine
CID 81027844
[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
CID 81011233
N-ethyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
CID 79923972
3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine
CID 104680489
4-(2-chlorocyclohexyl)-1,9-dioxaspiro[5.5]undecane
CID 79919791
N-[[4-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cyclohexyl]methyl]cyclopropanamine
CID 81033490

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine?
The IUPAC name of N-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine (CID 79920797) is N-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine.
What is the SMILES notation for N-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine?
The canonical SMILES for N-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine is CNC1CCCCCC1C1CCOC2(CCC2)C1.
What is the InChIKey of N-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine?
The InChIKey is WRDVEMSAEDOHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-17-15-7-4-2-3-6-14(15)13-8-11-18-16(12-13)9-5-10-16/h13-15,17H,2-12H2,1H3.
What are the key properties of N-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine?
N-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine is sourced from PubChem (CID 79920797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).