N-[(4-aminophenyl)methyl]-N-methyl-2,6-dioxaspiro[4.5]decan-9-amine

C16H24N2O2 — CID 79894065

IUPACN-[(4-aminophenyl)methyl]-N-methyl-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCN(Cc1ccc(N)cc1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H24N2O2/c1-18(11-13-2-4-14(17)5-3-13)15-6-8-20-16(10-15)7-9-19-12-16/h2-5,15H,6-12,17H2,1H3
InChIKeyKHSCNZPNWPIONM-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.04
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-N-methyl-2,6-dioxaspiro[4.5]decan-9-amine

N-[(4-aminophenyl)methyl]-N-methyl-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79894065) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-methyl-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-methyl-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79894065
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(4-aminophenyl)methyl]-N-methyl-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCN(Cc1ccc(N)cc1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H24N2O2/c1-18(11-13-2-4-14(17)5-3-13)15-6-8-20-16(10-15)7-9-19-12-16/h2-5,15H,6-12,17H2,1H3
InChIKeyKHSCNZPNWPIONM-UHFFFAOYSA-N
XLogP2.04
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 116549498
N-methyl-N-(piperidin-4-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79899720
N-methyl-N-(quinoxalin-6-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 70725853
3-[2,6-dioxaspiro[4.5]decan-9-yl(methyl)amino]-2-methylpropanenitrile
CID 79903094
3-N-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-N-methylbenzene-1,3-diamine
CID 79894066
4-(1,9-dioxaspiro[5.5]undecan-4-yloxymethyl)aniline
CID 79904766
4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 55135728
N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 103894107
3-[2,6-dioxaspiro[4.5]decan-9-yl(methyl)amino]benzenecarboximidamide
CID 79902462
N-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 79901722
N'-cyclopropyl-N'-(2,6-dioxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 79897518
3-[1,9-dioxaspiro[5.5]undecan-4-yl(methyl)amino]propanenitrile
CID 79903565

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-methyl-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-methyl-2,6-dioxaspiro[4.5]decan-9-amine (CID 79894065) is N-[(4-aminophenyl)methyl]-N-methyl-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-methyl-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-methyl-2,6-dioxaspiro[4.5]decan-9-amine is CN(Cc1ccc(N)cc1)C1CCOC2(CCOC2)C1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-methyl-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is KHSCNZPNWPIONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(11-13-2-4-14(17)5-3-13)15-6-8-20-16(10-15)7-9-19-12-16/h2-5,15H,6-12,17H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-methyl-2,6-dioxaspiro[4.5]decan-9-amine?
N-[(4-aminophenyl)methyl]-N-methyl-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 276.38 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-methyl-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79894065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).