N-[(3-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine

C17H31NO — CID 103883996

IUPACN-[(3-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
SMILESCC1CCCC(CNC2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C17H31NO/c1-14-5-4-6-15(11-14)13-18-16-7-10-19-17(12-16)8-2-3-9-17/h14-16,18H,2-13H2,1H3
InChIKeyFGQWVMGZEURTPN-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.89
Rot. Bonds3

About N-[(3-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine

N-[(3-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine (PubChem CID 103883996) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[(3-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[(3-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
PubChem CID103883996
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-[(3-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
SMILESCC1CCCC(CNC2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C17H31NO/c1-14-5-4-6-15(11-14)13-18-16-7-10-19-17(12-16)8-2-3-9-17/h14-16,18H,2-13H2,1H3
InChIKeyFGQWVMGZEURTPN-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylcyclohexyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 103883997
N-[(4-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903426
3-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclopentan-1-ol
CID 106129503
N-(oxolan-3-ylmethyl)-6-oxaspiro[4.5]decan-9-amine
CID 79895641
N-[(2-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 107418106
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-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895785
3,3-dimethyl-N-[(3-methylcyclohexyl)methyl]cyclopentan-1-amine
CID 114544246
N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903433
(9S)-N-[[(2R)-oxolan-2-yl]methyl]-6-oxaspiro[4.5]decan-9-amine
CID 97102884
9-methyl-N-propyl-1-oxaspiro[5.6]dodecan-4-amine
CID 65082535

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-[(3-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine (CID 103883996) is N-[(3-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[(3-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[(3-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine is CC1CCCC(CNC2CCOC3(CCCC3)C2)C1.
What is the InChIKey of N-[(3-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is FGQWVMGZEURTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-14-5-4-6-15(11-14)13-18-16-7-10-19-17(12-16)8-2-3-9-17/h14-16,18H,2-13H2,1H3.
What are the key properties of N-[(3-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine?
N-[(3-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 265.44 g/mol, XLogP of 3.89, 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]-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 103883996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).