N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine

C16H29NO — CID 79898516

IUPACN-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine
SMILESC1CCC(NC2CCOC3(CCCCC3)C2)CC1
InChIInChI=1S/C16H29NO/c1-3-7-14(8-4-1)17-15-9-12-18-16(13-15)10-5-2-6-11-16/h14-15,17H,1-13H2
InChIKeyYFQIDOZSSAANDK-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.79
Rot. Bonds2

About N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine

N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 79898516) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine
PubChem CID79898516
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine
SMILESC1CCC(NC2CCOC3(CCCCC3)C2)CC1
InChIInChI=1S/C16H29NO/c1-3-7-14(8-4-1)17-15-9-12-18-16(13-15)10-5-2-6-11-16/h14-15,17H,1-13H2
InChIKeyYFQIDOZSSAANDK-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-1-oxaspiro[5.5]undecan-4-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

N-cyclobutyl-1-oxaspiro[5.5]undecan-4-amine
CID 79895616
N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897814
N-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895341
N-(thian-3-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 86811515
N-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903513
N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898216
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
N-(2,2-dimethylcyclohexyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903322
N-(2-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine
CID 103791802
N-(1-methylcyclopentyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895290
N-(2-ethylcyclopropyl)-1-oxaspiro[5.5]undecan-4-amine
CID 114108180
N-(2,3-dimethylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79897645

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine (CID 79898516) is N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine is C1CCC(NC2CCOC3(CCCCC3)C2)CC1.
What is the InChIKey of N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is YFQIDOZSSAANDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-3-7-14(8-4-1)17-15-9-12-18-16(13-15)10-5-2-6-11-16/h14-15,17H,1-13H2.
What are the key properties of N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine?
N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 251.41 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79898516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).