N-(5-methyl-2-propan-2-ylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine

C18H33NO2 — CID 43710247

IUPACN-(5-methyl-2-propan-2-ylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC1CCC(C(C)C)C(NC2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C18H33NO2/c1-13(2)16-5-4-14(3)12-17(16)19-15-6-8-18(9-7-15)20-10-11-21-18/h13-17,19H,4-12H2,1-3H3
InChIKeyJITXVYRRRBSMAP-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.72
Rot. Bonds3

About N-(5-methyl-2-propan-2-ylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine

N-(5-methyl-2-propan-2-ylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 43710247) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is N-(5-methyl-2-propan-2-ylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(5-methyl-2-propan-2-ylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID43710247
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC NameN-(5-methyl-2-propan-2-ylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC1CCC(C(C)C)C(NC2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C18H33NO2/c1-13(2)16-5-4-14(3)12-17(16)19-15-6-8-18(9-7-15)20-10-11-21-18/h13-17,19H,4-12H2,1-3H3
InChIKeyJITXVYRRRBSMAP-UHFFFAOYSA-N
XLogP3.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-propan-2-yl-N-(3-propan-2-ylcyclobutyl)cyclohexan-1-amine
CID 103561293
5-methyl-N-(3-methylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine
CID 43317464
N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothian-4-amine
CID 43614944
N-(3-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43317686
N-(5-methyl-2-propan-2-ylcyclohexyl)azepan-4-amine
CID 103981217
N-(2-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43194980
N-(4-methylcycloheptyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 102795154
4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxamide
CID 43748782
N-(4-methylthiolan-3-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 130847982
2,2,5,5-tetramethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)oxolan-3-amine
CID 79918089
N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide
CID 59847881
(2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol
CID 103906936

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propan-2-ylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(5-methyl-2-propan-2-ylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 43710247) is N-(5-methyl-2-propan-2-ylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(5-methyl-2-propan-2-ylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(5-methyl-2-propan-2-ylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine is CC1CCC(C(C)C)C(NC2CCC3(CC2)OCCO3)C1.
What is the InChIKey of N-(5-methyl-2-propan-2-ylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is JITXVYRRRBSMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-13(2)16-5-4-14(3)12-17(16)19-15-6-8-18(9-7-15)20-10-11-21-18/h13-17,19H,4-12H2,1-3H3.
What are the key properties of N-(5-methyl-2-propan-2-ylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-(5-methyl-2-propan-2-ylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 295.47 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propan-2-ylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 43710247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).