N-[(7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxy]-N-oxidopropan-2-amine

C14H26NO3- — CID 163498103

IUPACN-[(7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxy]-N-oxidopropan-2-amine
SMILESCOC1CCC2CCC(ON([O-])C(C)C)CC2C1
InChIInChI=1S/C14H26NO3/c1-10(2)15(16)18-14-7-5-11-4-6-13(17-3)8-12(11)9-14/h10-14H,4-9H2,1-3H3/q-1
InChIKeyIXBQGFDITAIJGQ-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.11
Rot. Bonds4

About N-[(7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxy]-N-oxidopropan-2-amine

N-[(7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxy]-N-oxidopropan-2-amine (PubChem CID 163498103) has the molecular formula C14H26NO3- and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[(7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxy]-N-oxidopropan-2-amine.

Molecular Properties

Compound NameN-[(7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxy]-N-oxidopropan-2-amine
PubChem CID163498103
Molecular FormulaC14H26NO3-
Molecular Weight256.37 g/mol
Exact Mass256.19
IUPAC NameN-[(7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxy]-N-oxidopropan-2-amine
SMILESCOC1CCC2CCC(ON([O-])C(C)C)CC2C1
InChIInChI=1S/C14H26NO3/c1-10(2)15(16)18-14-7-5-11-4-6-13(17-3)8-12(11)9-14/h10-14H,4-9H2,1-3H3/q-1
InChIKeyIXBQGFDITAIJGQ-UHFFFAOYSA-N
XLogP3.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,3R)-1,3-dimethoxycyclopentane
CID 22214084
(2S)-2-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propane-1,1-diol
CID 118147016
2-methoxy-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 155006906
trans-(1S,3S)-3-methoxycyclopentan-1-ol
CID 97049174
1-methoxy-3-(3-methoxycyclohexyl)cyclohexane
CID 140718848
[4-(4-methoxycyclohexyl)cyclohexyl] hypoiodite
CID 139555769
ethane;1-methoxy-4-propan-2-ylcyclohexane
CID 178120184
1,2,4-trimethoxycyclohexane
CID 547386
1,6-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 121446270
1-methoxy-4-(4-methylcyclohexyl)cycloheptane
CID 130462304
4-(4-methoxycyclohexyl)cyclohexan-1-one
CID 22492944
trans-(1R,3R)-3-methoxycyclopentan-1-amine;hydrochloride
CID 118523425

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxy]-N-oxidopropan-2-amine?
The IUPAC name of N-[(7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxy]-N-oxidopropan-2-amine (CID 163498103) is N-[(7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxy]-N-oxidopropan-2-amine.
What is the SMILES notation for N-[(7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxy]-N-oxidopropan-2-amine?
The canonical SMILES for N-[(7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxy]-N-oxidopropan-2-amine is COC1CCC2CCC(ON([O-])C(C)C)CC2C1.
What is the InChIKey of N-[(7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxy]-N-oxidopropan-2-amine?
The InChIKey is IXBQGFDITAIJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26NO3/c1-10(2)15(16)18-14-7-5-11-4-6-13(17-3)8-12(11)9-14/h10-14H,4-9H2,1-3H3/q-1.
What are the key properties of N-[(7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxy]-N-oxidopropan-2-amine?
N-[(7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxy]-N-oxidopropan-2-amine has a molecular weight of 256.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)oxy]-N-oxidopropan-2-amine is sourced from PubChem (CID 163498103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).