N-methyl-N-(4-nitrophenyl)-1,4-dioxaspiro[4.5]decan-8-amine

C15H20N2O4 — CID 79119011

IUPACN-methyl-N-(4-nitrophenyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(c1ccc([N+](=O)[O-])cc1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C15H20N2O4/c1-16(12-2-4-14(5-3-12)17(18)19)13-6-8-15(9-7-13)20-10-11-21-15/h2-5,13H,6-11H2,1H3
InChIKeyRKUSANNJJMHOEL-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.72
Rot. Bonds3

About N-methyl-N-(4-nitrophenyl)-1,4-dioxaspiro[4.5]decan-8-amine

N-methyl-N-(4-nitrophenyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 79119011) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-methyl-N-(4-nitrophenyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-methyl-N-(4-nitrophenyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID79119011
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-methyl-N-(4-nitrophenyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(c1ccc([N+](=O)[O-])cc1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C15H20N2O4/c1-16(12-2-4-14(5-3-12)17(18)19)13-6-8-15(9-7-13)20-10-11-21-15/h2-5,13H,6-11H2,1H3
InChIKeyRKUSANNJJMHOEL-UHFFFAOYSA-N
XLogP2.72
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(N-methyl-4-nitroanilino)cyclohexan-1-one
CID 79120446
N-methyl-N-(4-nitrophenyl)pyrrolidin-3-amine
CID 63301700
1-[(3S)-3-(N-methyl-4-nitroanilino)pyrrolidin-1-yl]ethanone
CID 118060734
1-(4-nitrophenyl)-1-(oxan-4-yl)hydrazine
CID 105498881
N-methyl-N-(1-methylcyclohexyl)-4-nitroaniline
CID 126549261
2-methyl-2-[(4-nitrophenyl)methyl]-1,3-dioxolane
CID 14086865
N-methyl-N-(4-nitrophenyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-amine
CID 133454251
1,4-dioxaspiro[4.5]decan-8-ol;methane;bis(4-methoxycyclohexan-1-ol);4-methoxycyclohexan-1-one;bis((4-methoxycyclohexyl) 4-nitrobenzenesulfonate);8-methoxy-1,4-dioxaspiro[4.5]decane
CID 160846379
(3R)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 41474906
N,N-dimethyl-4-(4-nitrophenoxy)cyclohexan-1-amine
CID 176696770
N-[[8-(diethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-4-nitrobenzamide
CID 20527633
N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 56799710

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-nitrophenyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-methyl-N-(4-nitrophenyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 79119011) is N-methyl-N-(4-nitrophenyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-methyl-N-(4-nitrophenyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-methyl-N-(4-nitrophenyl)-1,4-dioxaspiro[4.5]decan-8-amine is CN(c1ccc([N+](=O)[O-])cc1)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-methyl-N-(4-nitrophenyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is RKUSANNJJMHOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-16(12-2-4-14(5-3-12)17(18)19)13-6-8-15(9-7-13)20-10-11-21-15/h2-5,13H,6-11H2,1H3.
What are the key properties of N-methyl-N-(4-nitrophenyl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-methyl-N-(4-nitrophenyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 292.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-nitrophenyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 79119011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).