N-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)cycloheptan-1-amine

C18H33NO — CID 102899036

IUPACN-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)cycloheptan-1-amine
SMILESCNC1CCCCCC1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C18H33NO/c1-19-17-9-5-2-4-8-15(17)14-16-10-13-18(20-16)11-6-3-7-12-18/h15-17,19H,2-14H2,1H3
InChIKeyXWCFAQWPAKNWON-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.43
Rot. Bonds3

About N-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)cycloheptan-1-amine

N-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)cycloheptan-1-amine (PubChem CID 102899036) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)cycloheptan-1-amine
PubChem CID102899036
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)cycloheptan-1-amine
SMILESCNC1CCCCCC1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C18H33NO/c1-19-17-9-5-2-4-8-15(17)14-16-10-13-18(20-16)11-6-3-7-12-18/h15-17,19H,2-14H2,1H3
InChIKeyXWCFAQWPAKNWON-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 102899065
N-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cycloheptan-1-amine
CID 102901315
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
2-[(2-chloro-5-methylcyclohexyl)methyl]-1-oxaspiro[4.5]decane
CID 102899914
N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentanamine
CID 102896553
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
2,3-dimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine
CID 102896724
N-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine
CID 102901285
N-methyl-2-[(5-methyloxolan-2-yl)methyl]cyclopentan-1-amine
CID 103131753
1,1-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)hydrazine
CID 102897694
2-butyl-1-oxaspiro[4.5]decane
CID 154513555
(1S)-1-cyclohexyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897605

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)cycloheptan-1-amine?
The IUPAC name of N-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)cycloheptan-1-amine (CID 102899036) is N-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)cycloheptan-1-amine.
What is the SMILES notation for N-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)cycloheptan-1-amine?
The canonical SMILES for N-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)cycloheptan-1-amine is CNC1CCCCCC1CC1CCC2(CCCCC2)O1.
What is the InChIKey of N-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)cycloheptan-1-amine?
The InChIKey is XWCFAQWPAKNWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-19-17-9-5-2-4-8-15(17)14-16-10-13-18(20-16)11-6-3-7-12-18/h15-17,19H,2-14H2,1H3.
What are the key properties of N-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)cycloheptan-1-amine?
N-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)cycloheptan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 102899036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).