N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)heptan-4-amine

C17H33NO — CID 102901309

IUPACN-methyl-1-(1-oxaspiro[4.5]decan-2-yl)heptan-4-amine
SMILESCCCC(CCCC1CCC2(CCCCC2)O1)NC
InChIInChI=1S/C17H33NO/c1-3-8-15(18-2)9-7-10-16-11-14-17(19-16)12-5-4-6-13-17/h15-16,18H,3-14H2,1-2H3
InChIKeyRBQKGOKIVUNSBD-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.43
Rot. Bonds7

About N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)heptan-4-amine

N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)heptan-4-amine (PubChem CID 102901309) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)heptan-4-amine.

Molecular Properties

Compound NameN-methyl-1-(1-oxaspiro[4.5]decan-2-yl)heptan-4-amine
PubChem CID102901309
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-methyl-1-(1-oxaspiro[4.5]decan-2-yl)heptan-4-amine
SMILESCCCC(CCCC1CCC2(CCCCC2)O1)NC
InChIInChI=1S/C17H33NO/c1-3-8-15(18-2)9-7-10-16-11-14-17(19-16)12-5-4-6-13-17/h15-16,18H,3-14H2,1-2H3
InChIKeyRBQKGOKIVUNSBD-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-1-oxaspiro[4.5]decane
CID 154513555
1-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine
CID 102898990
N-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine
CID 102901285
2-methyl-6-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine
CID 102901326
2-(3-bromopentyl)-1-oxaspiro[4.5]decane
CID 102899931
1-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-amine
CID 102901280
N-ethyl-1-(1-oxaspiro[4.4]nonan-2-yl)pentan-3-amine
CID 102898997
N-(2-methylpropyl)-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine
CID 102900256
2-methyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-ol
CID 102901406
2-(3-chloro-4-methylpentyl)-1-oxaspiro[4.4]nonane
CID 102899905
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102896610

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)heptan-4-amine?
The IUPAC name of N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)heptan-4-amine (CID 102901309) is N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)heptan-4-amine.
What is the SMILES notation for N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)heptan-4-amine?
The canonical SMILES for N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)heptan-4-amine is CCCC(CCCC1CCC2(CCCCC2)O1)NC.
What is the InChIKey of N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)heptan-4-amine?
The InChIKey is RBQKGOKIVUNSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-3-8-15(18-2)9-7-10-16-11-14-17(19-16)12-5-4-6-13-17/h15-16,18H,3-14H2,1-2H3.
What are the key properties of N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)heptan-4-amine?
N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)heptan-4-amine has a molecular weight of 267.46 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)heptan-4-amine is sourced from PubChem (CID 102901309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).