10-methyl-1-(10-methylundecoxy)undecan-1-amine

C24H51NO — CID 87182859

IUPAC10-methyl-1-(10-methylundecoxy)undecan-1-amine
SMILESCC(C)CCCCCCCCCOC(N)CCCCCCCCC(C)C
InChIInChI=1S/C24H51NO/c1-22(2)18-14-10-6-5-9-13-17-21-26-24(25)20-16-12-8-7-11-15-19-23(3)4/h22-24H,5-21,25H2,1-4H3
InChIKeyWBRDKWHQQJWYQO-UHFFFAOYSA-N
MW369.68 g/mol
LogP7.84
Rot. Bonds20

About 10-methyl-1-(10-methylundecoxy)undecan-1-amine

10-methyl-1-(10-methylundecoxy)undecan-1-amine (PubChem CID 87182859) has the molecular formula C24H51NO and a molecular weight of 369.68 g/mol. Its IUPAC name is 10-methyl-1-(10-methylundecoxy)undecan-1-amine.

Molecular Properties

Compound Name10-methyl-1-(10-methylundecoxy)undecan-1-amine
PubChem CID87182859
Molecular FormulaC24H51NO
Molecular Weight369.68 g/mol
Exact Mass369.40
IUPAC Name10-methyl-1-(10-methylundecoxy)undecan-1-amine
SMILESCC(C)CCCCCCCCCOC(N)CCCCCCCCC(C)C
InChIInChI=1S/C24H51NO/c1-22(2)18-14-10-6-5-9-13-17-21-26-24(25)20-16-12-8-7-11-15-19-23(3)4/h22-24H,5-21,25H2,1-4H3
InChIKeyWBRDKWHQQJWYQO-UHFFFAOYSA-N
XLogP7.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.68
LogP ≤ 57.84
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 10-methyl-1-(10-methylundecoxy)undecan-1-amine?
The IUPAC name of 10-methyl-1-(10-methylundecoxy)undecan-1-amine (CID 87182859) is 10-methyl-1-(10-methylundecoxy)undecan-1-amine.
What is the SMILES notation for 10-methyl-1-(10-methylundecoxy)undecan-1-amine?
The canonical SMILES for 10-methyl-1-(10-methylundecoxy)undecan-1-amine is CC(C)CCCCCCCCCOC(N)CCCCCCCCC(C)C.
What is the InChIKey of 10-methyl-1-(10-methylundecoxy)undecan-1-amine?
The InChIKey is WBRDKWHQQJWYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51NO/c1-22(2)18-14-10-6-5-9-13-17-21-26-24(25)20-16-12-8-7-11-15-19-23(3)4/h22-24H,5-21,25H2,1-4H3.
What are the key properties of 10-methyl-1-(10-methylundecoxy)undecan-1-amine?
10-methyl-1-(10-methylundecoxy)undecan-1-amine has a molecular weight of 369.68 g/mol, XLogP of 7.84, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-1-(10-methylundecoxy)undecan-1-amine is sourced from PubChem (CID 87182859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).