8-methyl-1-(8-methylnonoxy)nonan-1-amine

C20H43NO — CID 18692832

IUPAC8-methyl-1-(8-methylnonoxy)nonan-1-amine
SMILESCC(C)CCCCCCCOC(N)CCCCCCC(C)C
InChIInChI=1S/C20H43NO/c1-18(2)14-10-6-5-9-13-17-22-20(21)16-12-8-7-11-15-19(3)4/h18-20H,5-17,21H2,1-4H3
InChIKeyFNQKHZZJDAYYTI-UHFFFAOYSA-N
MW313.57 g/mol
LogP6.28
Rot. Bonds16

About 8-methyl-1-(8-methylnonoxy)nonan-1-amine

8-methyl-1-(8-methylnonoxy)nonan-1-amine (PubChem CID 18692832) has the molecular formula C20H43NO and a molecular weight of 313.57 g/mol. Its IUPAC name is 8-methyl-1-(8-methylnonoxy)nonan-1-amine.

Molecular Properties

Compound Name8-methyl-1-(8-methylnonoxy)nonan-1-amine
PubChem CID18692832
Molecular FormulaC20H43NO
Molecular Weight313.57 g/mol
Exact Mass313.33
IUPAC Name8-methyl-1-(8-methylnonoxy)nonan-1-amine
SMILESCC(C)CCCCCCCOC(N)CCCCCCC(C)C
InChIInChI=1S/C20H43NO/c1-18(2)14-10-6-5-9-13-17-22-20(21)16-12-8-7-11-15-19(3)4/h18-20H,5-17,21H2,1-4H3
InChIKeyFNQKHZZJDAYYTI-UHFFFAOYSA-N
XLogP6.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.57
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-(8-methylnonoxy)nonan-1-amine?
The IUPAC name of 8-methyl-1-(8-methylnonoxy)nonan-1-amine (CID 18692832) is 8-methyl-1-(8-methylnonoxy)nonan-1-amine.
What is the SMILES notation for 8-methyl-1-(8-methylnonoxy)nonan-1-amine?
The canonical SMILES for 8-methyl-1-(8-methylnonoxy)nonan-1-amine is CC(C)CCCCCCCOC(N)CCCCCCC(C)C.
What is the InChIKey of 8-methyl-1-(8-methylnonoxy)nonan-1-amine?
The InChIKey is FNQKHZZJDAYYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO/c1-18(2)14-10-6-5-9-13-17-22-20(21)16-12-8-7-11-15-19(3)4/h18-20H,5-17,21H2,1-4H3.
What are the key properties of 8-methyl-1-(8-methylnonoxy)nonan-1-amine?
8-methyl-1-(8-methylnonoxy)nonan-1-amine has a molecular weight of 313.57 g/mol, XLogP of 6.28, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-(8-methylnonoxy)nonan-1-amine is sourced from PubChem (CID 18692832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).