N,3,4,4-tetramethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine

C17H33NO — CID 105010327

IUPACN,3,4,4-tetramethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
SMILESCNC(CC(C)C(C)(C)C)C1CCOC2(CCC2)C1
InChIInChI=1S/C17H33NO/c1-13(16(2,3)4)11-15(18-5)14-7-10-19-17(12-14)8-6-9-17/h13-15,18H,6-12H2,1-5H3
InChIKeyKKYKAHFGDAEIGI-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.00
Rot. Bonds4

About N,3,4,4-tetramethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine

N,3,4,4-tetramethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine (PubChem CID 105010327) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N,3,4,4-tetramethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine.

Molecular Properties

Compound NameN,3,4,4-tetramethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
PubChem CID105010327
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN,3,4,4-tetramethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
SMILESCNC(CC(C)C(C)(C)C)C1CCOC2(CCC2)C1
InChIInChI=1S/C17H33NO/c1-13(16(2,3)4)11-15(18-5)14-7-10-19-17(12-14)8-6-9-17/h13-15,18H,6-12H2,1-5H3
InChIKeyKKYKAHFGDAEIGI-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 105170251
N,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 79915589
2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 103169206
2-methoxy-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79915502
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(thian-4-yl)ethanamine
CID 105166263
N-ethyl-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79914798
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,3,5,5-tetramethylhexan-1-amine
CID 105017181
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,4,4-trimethylpentan-1-ol
CID 115820972
N-methyl-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-2-amine
CID 79923393
2-N,2-N-diethyl-1-N,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propane-1,2-diamine
CID 79912220
N-methyl-1-[1-(2-methylpropyl)cyclopentyl]-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010023
2-ethoxy-N,3,3-trimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 116725429

Frequently Asked Questions

What is the IUPAC name of N,3,4,4-tetramethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine?
The IUPAC name of N,3,4,4-tetramethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine (CID 105010327) is N,3,4,4-tetramethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine.
What is the SMILES notation for N,3,4,4-tetramethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine?
The canonical SMILES for N,3,4,4-tetramethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine is CNC(CC(C)C(C)(C)C)C1CCOC2(CCC2)C1.
What is the InChIKey of N,3,4,4-tetramethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine?
The InChIKey is KKYKAHFGDAEIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-13(16(2,3)4)11-15(18-5)14-7-10-19-17(12-14)8-6-9-17/h13-15,18H,6-12H2,1-5H3.
What are the key properties of N,3,4,4-tetramethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine?
N,3,4,4-tetramethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4,4-tetramethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine is sourced from PubChem (CID 105010327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).