2-methyl-N-(2-undecoxyethyl)butan-1-amine

C18H39NO — CID 22091443

IUPAC2-methyl-N-(2-undecoxyethyl)butan-1-amine
SMILESCCCCCCCCCCCOCCNCC(C)CC
InChIInChI=1S/C18H39NO/c1-4-6-7-8-9-10-11-12-13-15-20-16-14-19-17-18(3)5-2/h18-19H,4-17H2,1-3H3
InChIKeyXJRKOQQFUUWTLL-UHFFFAOYSA-N
MW285.52 g/mol
LogP5.17
Rot. Bonds16

About 2-methyl-N-(2-undecoxyethyl)butan-1-amine

2-methyl-N-(2-undecoxyethyl)butan-1-amine (PubChem CID 22091443) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is 2-methyl-N-(2-undecoxyethyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-undecoxyethyl)butan-1-amine
PubChem CID22091443
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC Name2-methyl-N-(2-undecoxyethyl)butan-1-amine
SMILESCCCCCCCCCCCOCCNCC(C)CC
InChIInChI=1S/C18H39NO/c1-4-6-7-8-9-10-11-12-13-15-20-16-14-19-17-18(3)5-2/h18-19H,4-17H2,1-3H3
InChIKeyXJRKOQQFUUWTLL-UHFFFAOYSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.52
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-(2-undecoxyethyl)butan-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

N-(2-heptoxyethyl)-2-methylpropan-1-amine
CID 62457906
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-1-amine
CID 142623041
2,16-dimethyl-N-(2-propoxyethyl)henicosan-1-amine
CID 170065309
2-octadecoxy-N-(2-octadecoxyethyl)ethanamine;hydrochloride
CID 175378194
4-hexoxy-N-(2-methylpropyl)butan-1-amine
CID 62455139
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine
CID 104562209
N-(2-undecoxyethyl)propan-1-amine
CID 22091510
N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-2-methylbutan-1-amine;molecular hydrogen
CID 156794535
4-(2-butoxyethylamino)-3-methylbutan-1-ol
CID 66108115
1-dodecoxydodecane;3-methylheptane
CID 174412934
2-ethoxy-N-(2-octoxyethyl)ethanamine
CID 62597622
N-(2-pentoxyethyl)butan-1-amine
CID 54396114

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-undecoxyethyl)butan-1-amine?
The IUPAC name of 2-methyl-N-(2-undecoxyethyl)butan-1-amine (CID 22091443) is 2-methyl-N-(2-undecoxyethyl)butan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-undecoxyethyl)butan-1-amine?
The canonical SMILES for 2-methyl-N-(2-undecoxyethyl)butan-1-amine is CCCCCCCCCCCOCCNCC(C)CC.
What is the InChIKey of 2-methyl-N-(2-undecoxyethyl)butan-1-amine?
The InChIKey is XJRKOQQFUUWTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO/c1-4-6-7-8-9-10-11-12-13-15-20-16-14-19-17-18(3)5-2/h18-19H,4-17H2,1-3H3.
What are the key properties of 2-methyl-N-(2-undecoxyethyl)butan-1-amine?
2-methyl-N-(2-undecoxyethyl)butan-1-amine has a molecular weight of 285.52 g/mol, XLogP of 5.17, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-undecoxyethyl)butan-1-amine is sourced from PubChem (CID 22091443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).