4-ethyl-2-methyloctadecan-1-amine

C21H45N — CID 139984402

IUPAC4-ethyl-2-methyloctadecan-1-amine
SMILESCCCCCCCCCCCCCCC(CC)CC(C)CN
InChIInChI=1S/C21H45N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21(5-2)18-20(3)19-22/h20-21H,4-19,22H2,1-3H3
InChIKeyUDGAQAHSHVMJFJ-UHFFFAOYSA-N
MW311.60 g/mol
LogP7.09
Rot. Bonds17

About 4-ethyl-2-methyloctadecan-1-amine

4-ethyl-2-methyloctadecan-1-amine (PubChem CID 139984402) has the molecular formula C21H45N and a molecular weight of 311.60 g/mol. Its IUPAC name is 4-ethyl-2-methyloctadecan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-methyloctadecan-1-amine
PubChem CID139984402
Molecular FormulaC21H45N
Molecular Weight311.60 g/mol
Exact Mass311.36
IUPAC Name4-ethyl-2-methyloctadecan-1-amine
SMILESCCCCCCCCCCCCCCC(CC)CC(C)CN
InChIInChI=1S/C21H45N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21(5-2)18-20(3)19-22/h20-21H,4-19,22H2,1-3H3
InChIKeyUDGAQAHSHVMJFJ-UHFFFAOYSA-N
XLogP7.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.60
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-ethyl-2-methyloctadecan-1-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

11-ethyl-9-methylhenicosane
CID 154589575
5-ethyl-7-methylhexadecane
CID 173452938
4-ethyl-2-methylheptane-1,7-diamine
CID 18353547
2,4-dimethylnonan-1-amine
CID 123882027
4-ethyl-2-methyldecane
CID 19893744
2-methylnonan-1-amine
CID 21396878
9-ethyl-7-pentylhexadecane
CID 91283125
2-methyltricosan-1-amine
CID 87547792
9-ethyl-11-heptylnonadecane
CID 90975246
2-methyloctadecan-1-amine
CID 56980469
10-ethyl-2,6,12-trimethyloctacosane
CID 123697620
5-butyl-3-methyldodecane
CID 91590933

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyloctadecan-1-amine?
The IUPAC name of 4-ethyl-2-methyloctadecan-1-amine (CID 139984402) is 4-ethyl-2-methyloctadecan-1-amine.
What is the SMILES notation for 4-ethyl-2-methyloctadecan-1-amine?
The canonical SMILES for 4-ethyl-2-methyloctadecan-1-amine is CCCCCCCCCCCCCCC(CC)CC(C)CN.
What is the InChIKey of 4-ethyl-2-methyloctadecan-1-amine?
The InChIKey is UDGAQAHSHVMJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21(5-2)18-20(3)19-22/h20-21H,4-19,22H2,1-3H3.
What are the key properties of 4-ethyl-2-methyloctadecan-1-amine?
4-ethyl-2-methyloctadecan-1-amine has a molecular weight of 311.60 g/mol, XLogP of 7.09, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyloctadecan-1-amine is sourced from PubChem (CID 139984402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).