1-[amino(2,6-dioxaspiro[4.5]decan-9-yl)methyl]-N,N-dimethylcyclohexan-1-amine

C17H32N2O2 — CID 79907256

IUPAC1-[amino(2,6-dioxaspiro[4.5]decan-9-yl)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(N)C2CCOC3(CCOC3)C2)CCCCC1
InChIInChI=1S/C17H32N2O2/c1-19(2)17(7-4-3-5-8-17)15(18)14-6-10-21-16(12-14)9-11-20-13-16/h14-15H,3-13,18H2,1-2H3
InChIKeyKMRXMHKJDPRZSL-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.16
Rot. Bonds3

About 1-[amino(2,6-dioxaspiro[4.5]decan-9-yl)methyl]-N,N-dimethylcyclohexan-1-amine

1-[amino(2,6-dioxaspiro[4.5]decan-9-yl)methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79907256) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-[amino(2,6-dioxaspiro[4.5]decan-9-yl)methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[amino(2,6-dioxaspiro[4.5]decan-9-yl)methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79907256
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-[amino(2,6-dioxaspiro[4.5]decan-9-yl)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(N)C2CCOC3(CCOC3)C2)CCCCC1
InChIInChI=1S/C17H32N2O2/c1-19(2)17(7-4-3-5-8-17)15(18)14-6-10-21-16(12-14)9-11-20-13-16/h14-15H,3-13,18H2,1-2H3
InChIKeyKMRXMHKJDPRZSL-UHFFFAOYSA-N
XLogP2.16
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[amino(oxan-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066285
2,6-dioxaspiro[4.5]decan-9-yl-(1-ethylcyclopentyl)methanamine
CID 105017134
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 79914987
2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine
CID 116764369
2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine
CID 79914092
[1-(dimethylamino)cyclopentyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79921401
(4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 116764461
2-(dimethylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpropan-1-ol
CID 79921502
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine
CID 105017171
2,6-dioxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanamine
CID 79910992
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanamine
CID 79915218
2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxycyclohexyl)methanol
CID 116753294

Frequently Asked Questions

What is the IUPAC name of 1-[amino(2,6-dioxaspiro[4.5]decan-9-yl)methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[amino(2,6-dioxaspiro[4.5]decan-9-yl)methyl]-N,N-dimethylcyclohexan-1-amine (CID 79907256) is 1-[amino(2,6-dioxaspiro[4.5]decan-9-yl)methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[amino(2,6-dioxaspiro[4.5]decan-9-yl)methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[amino(2,6-dioxaspiro[4.5]decan-9-yl)methyl]-N,N-dimethylcyclohexan-1-amine is CN(C)C1(C(N)C2CCOC3(CCOC3)C2)CCCCC1.
What is the InChIKey of 1-[amino(2,6-dioxaspiro[4.5]decan-9-yl)methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is KMRXMHKJDPRZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-19(2)17(7-4-3-5-8-17)15(18)14-6-10-21-16(12-14)9-11-20-13-16/h14-15H,3-13,18H2,1-2H3.
What are the key properties of 1-[amino(2,6-dioxaspiro[4.5]decan-9-yl)methyl]-N,N-dimethylcyclohexan-1-amine?
1-[amino(2,6-dioxaspiro[4.5]decan-9-yl)methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 296.45 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(2,6-dioxaspiro[4.5]decan-9-yl)methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79907256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).