1,1,1-trimethoxydecan-2-amine

C13H29NO3 — CID 150913764

IUPAC1,1,1-trimethoxydecan-2-amine
SMILESCCCCCCCCC(N)C(OC)(OC)OC
InChIInChI=1S/C13H29NO3/c1-5-6-7-8-9-10-11-12(14)13(15-2,16-3)17-4/h12H,5-11,14H2,1-4H3
InChIKeyLCNPMYLEEZYTEK-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.66
Rot. Bonds11

About 1,1,1-trimethoxydecan-2-amine

1,1,1-trimethoxydecan-2-amine (PubChem CID 150913764) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 1,1,1-trimethoxydecan-2-amine.

Molecular Properties

Compound Name1,1,1-trimethoxydecan-2-amine
PubChem CID150913764
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name1,1,1-trimethoxydecan-2-amine
SMILESCCCCCCCCC(N)C(OC)(OC)OC
InChIInChI=1S/C13H29NO3/c1-5-6-7-8-9-10-11-12(14)13(15-2,16-3)17-4/h12H,5-11,14H2,1-4H3
InChIKeyLCNPMYLEEZYTEK-UHFFFAOYSA-N
XLogP2.66
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,1,1-trimethoxydecan-2-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

3-methoxy-3-methyltetradecan-4-amine
CID 116757437
6-(trimethoxymethyl)tridecane
CID 151806345
(3R)-2,2-dimethylpentadecan-3-amine
CID 124525155
2,2-dimethyldodecan-3-amine
CID 43370499
3-(trimethoxymethyl)undecane
CID 150552650
2-methyldecane-2,3-diamine
CID 87934186
4-(trimethoxymethyl)dodecane;hydrochloride
CID 172790816
(3S)-2,2-dimethyloctan-3-amine
CID 93237613
2-aminotetradecane-1,1,1-triol;hydrochloride
CID 173374049
butan-1-amine;4-(trimethoxymethyl)dodecane
CID 159368257
2-ethoxy-2-methylundecan-3-amine
CID 116726130
pentacosan-7-amine
CID 88938409

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trimethoxydecan-2-amine?
The IUPAC name of 1,1,1-trimethoxydecan-2-amine (CID 150913764) is 1,1,1-trimethoxydecan-2-amine.
What is the SMILES notation for 1,1,1-trimethoxydecan-2-amine?
The canonical SMILES for 1,1,1-trimethoxydecan-2-amine is CCCCCCCCC(N)C(OC)(OC)OC.
What is the InChIKey of 1,1,1-trimethoxydecan-2-amine?
The InChIKey is LCNPMYLEEZYTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-5-6-7-8-9-10-11-12(14)13(15-2,16-3)17-4/h12H,5-11,14H2,1-4H3.
What are the key properties of 1,1,1-trimethoxydecan-2-amine?
1,1,1-trimethoxydecan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 2.66, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trimethoxydecan-2-amine is sourced from PubChem (CID 150913764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).