7-[methoxy(1-methoxyethoxy)methyl]-N-methylcyclotridecan-1-amine

C19H39NO3 — CID 91301384

IUPAC7-[methoxy(1-methoxyethoxy)methyl]-N-methylcyclotridecan-1-amine
SMILESCNC1CCCCCCC(C(OC)OC(C)OC)CCCCC1
InChIInChI=1S/C19H39NO3/c1-16(21-3)23-19(22-4)17-12-8-5-6-10-14-18(20-2)15-11-7-9-13-17/h16-20H,5-15H2,1-4H3
InChIKeyQKOFESHLZFBNBL-UHFFFAOYSA-N
MW329.53 g/mol
LogP4.48
Rot. Bonds6

About 7-[methoxy(1-methoxyethoxy)methyl]-N-methylcyclotridecan-1-amine

7-[methoxy(1-methoxyethoxy)methyl]-N-methylcyclotridecan-1-amine (PubChem CID 91301384) has the molecular formula C19H39NO3 and a molecular weight of 329.53 g/mol. Its IUPAC name is 7-[methoxy(1-methoxyethoxy)methyl]-N-methylcyclotridecan-1-amine.

Molecular Properties

Compound Name7-[methoxy(1-methoxyethoxy)methyl]-N-methylcyclotridecan-1-amine
PubChem CID91301384
Molecular FormulaC19H39NO3
Molecular Weight329.53 g/mol
Exact Mass329.29
IUPAC Name7-[methoxy(1-methoxyethoxy)methyl]-N-methylcyclotridecan-1-amine
SMILESCNC1CCCCCCC(C(OC)OC(C)OC)CCCCC1
InChIInChI=1S/C19H39NO3/c1-16(21-3)23-19(22-4)17-12-8-5-6-10-14-18(20-2)15-11-7-9-13-17/h16-20H,5-15H2,1-4H3
InChIKeyQKOFESHLZFBNBL-UHFFFAOYSA-N
XLogP4.48
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[methoxy(1-methoxyethoxy)methyl]-N-methylcyclotridecan-1-amine?
The IUPAC name of 7-[methoxy(1-methoxyethoxy)methyl]-N-methylcyclotridecan-1-amine (CID 91301384) is 7-[methoxy(1-methoxyethoxy)methyl]-N-methylcyclotridecan-1-amine.
What is the SMILES notation for 7-[methoxy(1-methoxyethoxy)methyl]-N-methylcyclotridecan-1-amine?
The canonical SMILES for 7-[methoxy(1-methoxyethoxy)methyl]-N-methylcyclotridecan-1-amine is CNC1CCCCCCC(C(OC)OC(C)OC)CCCCC1.
What is the InChIKey of 7-[methoxy(1-methoxyethoxy)methyl]-N-methylcyclotridecan-1-amine?
The InChIKey is QKOFESHLZFBNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO3/c1-16(21-3)23-19(22-4)17-12-8-5-6-10-14-18(20-2)15-11-7-9-13-17/h16-20H,5-15H2,1-4H3.
What are the key properties of 7-[methoxy(1-methoxyethoxy)methyl]-N-methylcyclotridecan-1-amine?
7-[methoxy(1-methoxyethoxy)methyl]-N-methylcyclotridecan-1-amine has a molecular weight of 329.53 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[methoxy(1-methoxyethoxy)methyl]-N-methylcyclotridecan-1-amine is sourced from PubChem (CID 91301384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).