dodecan-1-amine;bis(propan-2-ol)

C18H43NO2 — CID 19742183

IUPACdodecan-1-amine;bis(propan-2-ol)
SMILESCC(C)O.CC(C)O.CCCCCCCCCCCCN
InChIInChI=1S/C12H27N.2C3H8O/c1-2-3-4-5-6-7-8-9-10-11-12-13;2*1-3(2)4/h2-13H2,1H3;2*3-4H,1-2H3
InChIKeyPUZMOFUMKQGUGL-UHFFFAOYSA-N
MW305.55 g/mol
LogP4.64
Rot. Bonds10

About dodecan-1-amine;bis(propan-2-ol)

dodecan-1-amine;bis(propan-2-ol) (PubChem CID 19742183) has the molecular formula C18H43NO2 and a molecular weight of 305.55 g/mol. Its IUPAC name is dodecan-1-amine;bis(propan-2-ol).

Molecular Properties

Compound Namedodecan-1-amine;bis(propan-2-ol)
PubChem CID19742183
Molecular FormulaC18H43NO2
Molecular Weight305.55 g/mol
Exact Mass305.33
IUPAC Namedodecan-1-amine;bis(propan-2-ol)
SMILESCC(C)O.CC(C)O.CCCCCCCCCCCCN
InChIInChI=1S/C12H27N.2C3H8O/c1-2-3-4-5-6-7-8-9-10-11-12-13;2*1-3(2)4/h2-13H2,1H3;2*3-4H,1-2H3
InChIKeyPUZMOFUMKQGUGL-UHFFFAOYSA-N
XLogP4.64
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.55
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butan-1-amine;propan-2-ol
CID 174667581
hexadecan-1-amine;2-methylpropane;hydrochloride
CID 173319853
4-aminobutan-2-ol;octan-1-amine
CID 21412295
dodecan-1-amine;hydroxylamine
CID 175960605
butane-1,4-diamine;hexan-1-amine
CID 162097736
dotetracontan-1-amine
CID 14550497
octane;propan-2-ol
CID 160746796
tridecan-1-amine;undecan-1-amine
CID 23045943
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
decan-1-amine;2-hydroxypropanoic acid
CID 88700123
1-aminooctacosan-11-ol
CID 172994921

Frequently Asked Questions

What is the IUPAC name of dodecan-1-amine;bis(propan-2-ol)?
The IUPAC name of dodecan-1-amine;bis(propan-2-ol) (CID 19742183) is dodecan-1-amine;bis(propan-2-ol).
What is the SMILES notation for dodecan-1-amine;bis(propan-2-ol)?
The canonical SMILES for dodecan-1-amine;bis(propan-2-ol) is CC(C)O.CC(C)O.CCCCCCCCCCCCN.
What is the InChIKey of dodecan-1-amine;bis(propan-2-ol)?
The InChIKey is PUZMOFUMKQGUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.2C3H8O/c1-2-3-4-5-6-7-8-9-10-11-12-13;2*1-3(2)4/h2-13H2,1H3;2*3-4H,1-2H3.
What are the key properties of dodecan-1-amine;bis(propan-2-ol)?
dodecan-1-amine;bis(propan-2-ol) has a molecular weight of 305.55 g/mol, XLogP of 4.64, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-1-amine;bis(propan-2-ol) is sourced from PubChem (CID 19742183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).