4-methoxy-5,6-dimethylnonadecan-3-amine

C22H47NO — CID 59957249

IUPAC4-methoxy-5,6-dimethylnonadecan-3-amine
SMILESCCCCCCCCCCCCCC(C)C(C)C(OC)C(N)CC
InChIInChI=1S/C22H47NO/c1-6-8-9-10-11-12-13-14-15-16-17-18-19(3)20(4)22(24-5)21(23)7-2/h19-22H,6-18,23H2,1-5H3
InChIKeyIVXSVYUUKBOVRT-UHFFFAOYSA-N
MW341.62 g/mol
LogP6.71
Rot. Bonds17

About 4-methoxy-5,6-dimethylnonadecan-3-amine

4-methoxy-5,6-dimethylnonadecan-3-amine (PubChem CID 59957249) has the molecular formula C22H47NO and a molecular weight of 341.62 g/mol. Its IUPAC name is 4-methoxy-5,6-dimethylnonadecan-3-amine.

Molecular Properties

Compound Name4-methoxy-5,6-dimethylnonadecan-3-amine
PubChem CID59957249
Molecular FormulaC22H47NO
Molecular Weight341.62 g/mol
Exact Mass341.37
IUPAC Name4-methoxy-5,6-dimethylnonadecan-3-amine
SMILESCCCCCCCCCCCCCC(C)C(C)C(OC)C(N)CC
InChIInChI=1S/C22H47NO/c1-6-8-9-10-11-12-13-14-15-16-17-18-19(3)20(4)22(24-5)21(23)7-2/h19-22H,6-18,23H2,1-5H3
InChIKeyIVXSVYUUKBOVRT-UHFFFAOYSA-N
XLogP6.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.62
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methoxy-5,6-dimethylnonadecan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Paecilaminol
CID 10236627
(3S,4R)-3-amino-2-methylnonadecan-4-ol
CID 9857993
(3S,4S,5R)-4-amino-3-methylicosan-5-ol
CID 9967180
(4S,5R)-4-amino-2-methylicosan-5-ol
CID 118735809
(3S,4S,5R)-4-amino-3-methyltetradecan-5-ol
CID 118735810
2-Amino-12,16-dimethylicosane-3,10-diol
CID 123400584
12-Ethoxy-3-methyl-4-(3-methylbutan-2-yl)dodecan-1-amine
CID 109375
Cyclohexaneethanamine, I(2)-methoxy-I+/--nonyl-
CID 116771184
(2S,3S)-3-methoxyoctadecan-2-amine
CID 9814818
6-Ethyl-2,4,5-trimethyloxan-3-amine
CID 18739422
4-(8-Methylnonoxy)hexane-1,3-diamine
CID 18770005
10-Methyl-1-(oxolan-2-yl)undecane-1,11-diamine
CID 20405360

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5,6-dimethylnonadecan-3-amine?
The IUPAC name of 4-methoxy-5,6-dimethylnonadecan-3-amine (CID 59957249) is 4-methoxy-5,6-dimethylnonadecan-3-amine.
What is the SMILES notation for 4-methoxy-5,6-dimethylnonadecan-3-amine?
The canonical SMILES for 4-methoxy-5,6-dimethylnonadecan-3-amine is CCCCCCCCCCCCCC(C)C(C)C(OC)C(N)CC.
What is the InChIKey of 4-methoxy-5,6-dimethylnonadecan-3-amine?
The InChIKey is IVXSVYUUKBOVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NO/c1-6-8-9-10-11-12-13-14-15-16-17-18-19(3)20(4)22(24-5)21(23)7-2/h19-22H,6-18,23H2,1-5H3.
What are the key properties of 4-methoxy-5,6-dimethylnonadecan-3-amine?
4-methoxy-5,6-dimethylnonadecan-3-amine has a molecular weight of 341.62 g/mol, XLogP of 6.71, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5,6-dimethylnonadecan-3-amine is sourced from PubChem (CID 59957249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).