4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane

C16H29NO2 — CID 91660413

IUPAC4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane
SMILESCC1CCCCC1CN1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H29NO2/c1-14-4-2-3-5-15(14)12-17-8-11-19-16(13-17)6-9-18-10-7-16/h14-15H,2-13H2,1H3
InChIKeyVQPBCXLSNVDNAQ-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.69
Rot. Bonds2

About 4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane

4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane (PubChem CID 91660413) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane
PubChem CID91660413
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane
SMILESCC1CCCCC1CN1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H29NO2/c1-14-4-2-3-5-15(14)12-17-8-11-19-16(13-17)6-9-18-10-7-16/h14-15H,2-13H2,1H3
InChIKeyVQPBCXLSNVDNAQ-UHFFFAOYSA-N
XLogP2.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane 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

4-[(2-methylcyclobutyl)methyl]morpholine
CID 67036054
[3-methyl-1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine
CID 120780293
4,9-diethyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 154672699
3,3-dimethyl-1-[(2-methylcyclopentyl)methyl]piperazine
CID 107420912
4-(5-fluoropentyl)-1,9-dioxa-4-azaspiro[5.5]undecane
CID 100644193
4-(oxolan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 102567449
N,N-dimethyl-1-[(2-methylcyclohexyl)methyl]piperidin-4-amine
CID 163161369
1-[(2-methylcyclohexyl)methyl]azetidin-3-ol
CID 131175766
1-[(6R)-4-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97373186
4-(cyclohexylmethyl)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 155875510
2,2-dimethyl-6-(morpholin-4-ylmethyl)cyclohexan-1-ol
CID 79848658
2-[(2,2-dimethylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 62614593

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane?
The IUPAC name of 4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane (CID 91660413) is 4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane is CC1CCCCC1CN1CCOC2(CCOCC2)C1.
What is the InChIKey of 4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane?
The InChIKey is VQPBCXLSNVDNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-14-4-2-3-5-15(14)12-17-8-11-19-16(13-17)6-9-18-10-7-16/h14-15H,2-13H2,1H3.
What are the key properties of 4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane?
4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane has a molecular weight of 267.41 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 91660413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).