N-[(3-methylcyclohexyl)methyl]-1-oxaspiro[5.5]undecan-4-amine

C18H33NO — CID 103883997

IUPACN-[(3-methylcyclohexyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
SMILESCC1CCCC(CNC2CCOC3(CCCCC3)C2)C1
InChIInChI=1S/C18H33NO/c1-15-6-5-7-16(12-15)14-19-17-8-11-20-18(13-17)9-3-2-4-10-18/h15-17,19H,2-14H2,1H3
InChIKeyUYNXJVBGGLTJBS-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.28
Rot. Bonds3

About N-[(3-methylcyclohexyl)methyl]-1-oxaspiro[5.5]undecan-4-amine

N-[(3-methylcyclohexyl)methyl]-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 103883997) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[(3-methylcyclohexyl)methyl]-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-[(3-methylcyclohexyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
PubChem CID103883997
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-[(3-methylcyclohexyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
SMILESCC1CCCC(CNC2CCOC3(CCCCC3)C2)C1
InChIInChI=1S/C18H33NO/c1-15-6-5-7-16(12-15)14-19-17-8-11-20-18(13-17)9-3-2-4-10-18/h15-17,19H,2-14H2,1H3
InChIKeyUYNXJVBGGLTJBS-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 103883996
N-[(4-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903426
N-[(2-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 107418106
3-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclopentan-1-ol
CID 106129503
N-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895785
N-(oxolan-3-ylmethyl)-6-oxaspiro[4.5]decan-9-amine
CID 79895641
3-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]cyclopentan-1-ol
CID 106130055
4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclohexan-1-ol
CID 106133298
N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903433
3,3-dimethyl-N-[(3-methylcyclohexyl)methyl]cyclopentan-1-amine
CID 114544246
N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898486
N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79903273

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexyl)methyl]-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-[(3-methylcyclohexyl)methyl]-1-oxaspiro[5.5]undecan-4-amine (CID 103883997) is N-[(3-methylcyclohexyl)methyl]-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-[(3-methylcyclohexyl)methyl]-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-[(3-methylcyclohexyl)methyl]-1-oxaspiro[5.5]undecan-4-amine is CC1CCCC(CNC2CCOC3(CCCCC3)C2)C1.
What is the InChIKey of N-[(3-methylcyclohexyl)methyl]-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is UYNXJVBGGLTJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-15-6-5-7-16(12-15)14-19-17-8-11-20-18(13-17)9-3-2-4-10-18/h15-17,19H,2-14H2,1H3.
What are the key properties of N-[(3-methylcyclohexyl)methyl]-1-oxaspiro[5.5]undecan-4-amine?
N-[(3-methylcyclohexyl)methyl]-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 279.47 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclohexyl)methyl]-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 103883997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).