N-tert-butyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine

C15H28N2O — CID 172535666

IUPACN-tert-butyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
SMILESCC(C)(C)NC1CCC(N2CC3(COC3)C2)CC1
InChIInChI=1S/C15H28N2O/c1-14(2,3)16-12-4-6-13(7-5-12)17-8-15(9-17)10-18-11-15/h12-13,16H,4-11H2,1-3H3
InChIKeyWHRSNRCLXWPZHT-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.02
Rot. Bonds2

About N-tert-butyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine

N-tert-butyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine (PubChem CID 172535666) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-tert-butyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
PubChem CID172535666
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-tert-butyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
SMILESCC(C)(C)NC1CCC(N2CC3(COC3)C2)CC1
InChIInChI=1S/C15H28N2O/c1-14(2,3)16-12-4-6-13(7-5-12)17-8-15(9-17)10-18-11-15/h12-13,16H,4-11H2,1-3H3
InChIKeyWHRSNRCLXWPZHT-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
CID 178010190
2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine
CID 178010653
(1R,2S,4R)-2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
CID 178547340
(1S,2R,4S)-2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
CID 178547818
N-ethyl-2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
CID 178010364
2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propylcyclohexan-1-amine
CID 178011742
N-((3-Methyloxetan-3-yl)methyl)cyclohexanamine
CID 64369561
4-N-[(3-methyloxetan-3-yl)methyl]cyclohexane-1,4-diamine
CID 80130632
6-(Piperidin-4-yl)-2-oxa-6-azaspiro[3.3]heptane
CID 129030568
(1r,4r)-4-{2-Oxa-6-azaspiro[3.3]heptan-6-yl}cyclohexan-1-amine
CID 142544453
4-N-methyl-4-N-(oxetan-3-ylmethyl)cyclohexane-1,4-diamine
CID 154981203
N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
CID 156712169

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine?
The IUPAC name of N-tert-butyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine (CID 172535666) is N-tert-butyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine?
The canonical SMILES for N-tert-butyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine is CC(C)(C)NC1CCC(N2CC3(COC3)C2)CC1.
What is the InChIKey of N-tert-butyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine?
The InChIKey is WHRSNRCLXWPZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-14(2,3)16-12-4-6-13(7-5-12)17-8-15(9-17)10-18-11-15/h12-13,16H,4-11H2,1-3H3.
What are the key properties of N-tert-butyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine?
N-tert-butyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine has a molecular weight of 252.40 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine is sourced from PubChem (CID 172535666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).