2-dodecan-5-yloxyethanamine

C14H31NO — CID 18672808

IUPAC2-dodecan-5-yloxyethanamine
SMILESCCCCCCCC(CCCC)OCCN
InChIInChI=1S/C14H31NO/c1-3-5-7-8-9-11-14(10-6-4-2)16-13-12-15/h14H,3-13,15H2,1-2H3
InChIKeyFXFFDJFVWOZRHL-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.88
Rot. Bonds12

About 2-dodecan-5-yloxyethanamine

2-dodecan-5-yloxyethanamine (PubChem CID 18672808) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-dodecan-5-yloxyethanamine.

Molecular Properties

Compound Name2-dodecan-5-yloxyethanamine
PubChem CID18672808
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name2-dodecan-5-yloxyethanamine
SMILESCCCCCCCC(CCCC)OCCN
InChIInChI=1S/C14H31NO/c1-3-5-7-8-9-11-14(10-6-4-2)16-13-12-15/h14H,3-13,15H2,1-2H3
InChIKeyFXFFDJFVWOZRHL-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-dodecan-5-yloxyethanamine 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

3-pentoxyhexadecan-1-amine
CID 153320725
6-octoxyundecane
CID 20520524
10-decoxyicosane
CID 150196888
2-octan-2-yloxyethanamine
CID 43127313
2-docosan-10-yloxyethanol
CID 173141834
5-docosan-5-yloxypentan-1-ol
CID 139884775
2-(2-methylnonan-3-yloxy)ethanamine
CID 150049308
3,7-didodecoxydodecane
CID 123502949
9-ethoxyoctadecane
CID 87148376
1,3-didecoxyundecane
CID 142711236
12-butoxyoctadecan-1-ol
CID 139752074
2-[2-(1-hydroxydecan-2-yloxy)ethoxy]decan-1-ol
CID 10022312

Frequently Asked Questions

What is the IUPAC name of 2-dodecan-5-yloxyethanamine?
The IUPAC name of 2-dodecan-5-yloxyethanamine (CID 18672808) is 2-dodecan-5-yloxyethanamine.
What is the SMILES notation for 2-dodecan-5-yloxyethanamine?
The canonical SMILES for 2-dodecan-5-yloxyethanamine is CCCCCCCC(CCCC)OCCN.
What is the InChIKey of 2-dodecan-5-yloxyethanamine?
The InChIKey is FXFFDJFVWOZRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-3-5-7-8-9-11-14(10-6-4-2)16-13-12-15/h14H,3-13,15H2,1-2H3.
What are the key properties of 2-dodecan-5-yloxyethanamine?
2-dodecan-5-yloxyethanamine has a molecular weight of 229.41 g/mol, XLogP of 3.88, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecan-5-yloxyethanamine is sourced from PubChem (CID 18672808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).