4-(5-methyldodecan-5-yloxy)butan-1-amine

C17H37NO — CID 130456378

IUPAC4-(5-methyldodecan-5-yloxy)butan-1-amine
SMILESCCCCCCCC(C)(CCCC)OCCCCN
InChIInChI=1S/C17H37NO/c1-4-6-8-9-10-14-17(3,13-7-5-2)19-16-12-11-15-18/h4-16,18H2,1-3H3
InChIKeyPPBGPHNFCWBXNK-UHFFFAOYSA-N
MW271.49 g/mol
LogP5.05
Rot. Bonds14

About 4-(5-methyldodecan-5-yloxy)butan-1-amine

4-(5-methyldodecan-5-yloxy)butan-1-amine (PubChem CID 130456378) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is 4-(5-methyldodecan-5-yloxy)butan-1-amine.

Molecular Properties

Compound Name4-(5-methyldodecan-5-yloxy)butan-1-amine
PubChem CID130456378
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name4-(5-methyldodecan-5-yloxy)butan-1-amine
SMILESCCCCCCCC(C)(CCCC)OCCCCN
InChIInChI=1S/C17H37NO/c1-4-6-8-9-10-14-17(3,13-7-5-2)19-16-12-11-15-18/h4-16,18H2,1-3H3
InChIKeyPPBGPHNFCWBXNK-UHFFFAOYSA-N
XLogP5.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.49
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(5-methyldodecan-5-yloxy)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

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyldodecan-5-yloxy)butan-1-amine?
The IUPAC name of 4-(5-methyldodecan-5-yloxy)butan-1-amine (CID 130456378) is 4-(5-methyldodecan-5-yloxy)butan-1-amine.
What is the SMILES notation for 4-(5-methyldodecan-5-yloxy)butan-1-amine?
The canonical SMILES for 4-(5-methyldodecan-5-yloxy)butan-1-amine is CCCCCCCC(C)(CCCC)OCCCCN.
What is the InChIKey of 4-(5-methyldodecan-5-yloxy)butan-1-amine?
The InChIKey is PPBGPHNFCWBXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-4-6-8-9-10-14-17(3,13-7-5-2)19-16-12-11-15-18/h4-16,18H2,1-3H3.
What are the key properties of 4-(5-methyldodecan-5-yloxy)butan-1-amine?
4-(5-methyldodecan-5-yloxy)butan-1-amine has a molecular weight of 271.49 g/mol, XLogP of 5.05, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyldodecan-5-yloxy)butan-1-amine is sourced from PubChem (CID 130456378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).