dodecan-1-amine;2,2,3-trimethylbutane

C19H43N — CID 143310414

IUPACdodecan-1-amine;2,2,3-trimethylbutane
SMILESCC(C)C(C)(C)C.CCCCCCCCCCCCN
InChIInChI=1S/C12H27N.C7H16/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-6(2)7(3,4)5/h2-13H2,1H3;6H,1-5H3
InChIKeyKFFSPLJOOADIII-UHFFFAOYSA-N
MW285.56 g/mol
LogP6.55
Rot. Bonds10

About dodecan-1-amine;2,2,3-trimethylbutane

dodecan-1-amine;2,2,3-trimethylbutane (PubChem CID 143310414) has the molecular formula C19H43N and a molecular weight of 285.56 g/mol. Its IUPAC name is dodecan-1-amine;2,2,3-trimethylbutane.

Molecular Properties

Compound Namedodecan-1-amine;2,2,3-trimethylbutane
PubChem CID143310414
Molecular FormulaC19H43N
Molecular Weight285.56 g/mol
Exact Mass285.34
IUPAC Namedodecan-1-amine;2,2,3-trimethylbutane
SMILESCC(C)C(C)(C)C.CCCCCCCCCCCCN
InChIInChI=1S/C12H27N.C7H16/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-6(2)7(3,4)5/h2-13H2,1H3;6H,1-5H3
InChIKeyKFFSPLJOOADIII-UHFFFAOYSA-N
XLogP6.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.56
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dodecan-1-amine;2,2,3-trimethylbutane 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

hexadecan-1-amine;2-methylpropane;hydrochloride
CID 173319853
tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
dodecan-1-amine;bis(propan-2-ol)
CID 19742183
tetracosan-1-amine;hydrobromide
CID 175600580
decane;decane-1,10-diamine;methanediamine
CID 158649191
octadecan-1-amine;titanium
CID 174493472
hexadecan-1-amine;hydroiodide
CID 173125534
octadecan-1-amine;hydrate
CID 158026408

Frequently Asked Questions

What is the IUPAC name of dodecan-1-amine;2,2,3-trimethylbutane?
The IUPAC name of dodecan-1-amine;2,2,3-trimethylbutane (CID 143310414) is dodecan-1-amine;2,2,3-trimethylbutane.
What is the SMILES notation for dodecan-1-amine;2,2,3-trimethylbutane?
The canonical SMILES for dodecan-1-amine;2,2,3-trimethylbutane is CC(C)C(C)(C)C.CCCCCCCCCCCCN.
What is the InChIKey of dodecan-1-amine;2,2,3-trimethylbutane?
The InChIKey is KFFSPLJOOADIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C7H16/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-6(2)7(3,4)5/h2-13H2,1H3;6H,1-5H3.
What are the key properties of dodecan-1-amine;2,2,3-trimethylbutane?
dodecan-1-amine;2,2,3-trimethylbutane has a molecular weight of 285.56 g/mol, XLogP of 6.55, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-1-amine;2,2,3-trimethylbutane is sourced from PubChem (CID 143310414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).