3,3-dimethyl-N-propyl-2-oxaspiro[4.5]decan-8-amine

C14H27NO — CID 165487039

IUPAC3,3-dimethyl-N-propyl-2-oxaspiro[4.5]decan-8-amine
SMILESCCCNC1CCC2(CC1)COC(C)(C)C2
InChIInChI=1S/C14H27NO/c1-4-9-15-12-5-7-14(8-6-12)10-13(2,3)16-11-14/h12,15H,4-11H2,1-3H3
InChIKeyZPHMPMRPRXXZON-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds3

About 3,3-dimethyl-N-propyl-2-oxaspiro[4.5]decan-8-amine

3,3-dimethyl-N-propyl-2-oxaspiro[4.5]decan-8-amine (PubChem CID 165487039) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3,3-dimethyl-N-propyl-2-oxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-propyl-2-oxaspiro[4.5]decan-8-amine
PubChem CID165487039
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3,3-dimethyl-N-propyl-2-oxaspiro[4.5]decan-8-amine
SMILESCCCNC1CCC2(CC1)COC(C)(C)C2
InChIInChI=1S/C14H27NO/c1-4-9-15-12-5-7-14(8-6-12)10-13(2,3)16-11-14/h12,15H,4-11H2,1-3H3
InChIKeyZPHMPMRPRXXZON-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
4-(propylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol
CID 114624346
N-propyloxan-4-amine
CID 18348908
3-cyclohexyl-3-methyl-N-propylcyclopentan-1-amine
CID 116539796
4-(2-azaspiro[3.3]heptan-2-yl)-N-propylcyclohexan-1-amine
CID 79687378
3-methyl-3-(3-methylbut-3-enyl)-N-propylcyclopentan-1-amine
CID 114477339
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-(propylamino)cyclohexan-1-ol
CID 79907952
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819
N-butyl-4,4-dimethylcycloheptan-1-amine
CID 65082955
3-methyl-3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine
CID 116539626

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-propyl-2-oxaspiro[4.5]decan-8-amine?
The IUPAC name of 3,3-dimethyl-N-propyl-2-oxaspiro[4.5]decan-8-amine (CID 165487039) is 3,3-dimethyl-N-propyl-2-oxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 3,3-dimethyl-N-propyl-2-oxaspiro[4.5]decan-8-amine?
The canonical SMILES for 3,3-dimethyl-N-propyl-2-oxaspiro[4.5]decan-8-amine is CCCNC1CCC2(CC1)COC(C)(C)C2.
What is the InChIKey of 3,3-dimethyl-N-propyl-2-oxaspiro[4.5]decan-8-amine?
The InChIKey is ZPHMPMRPRXXZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-9-15-12-5-7-14(8-6-12)10-13(2,3)16-11-14/h12,15H,4-11H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-propyl-2-oxaspiro[4.5]decan-8-amine?
3,3-dimethyl-N-propyl-2-oxaspiro[4.5]decan-8-amine has a molecular weight of 225.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-propyl-2-oxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 165487039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).