dodecan-1-amine;hexan-1-ol

C18H41NO — CID 90011077

IUPACdodecan-1-amine;hexan-1-ol
SMILESCCCCCCCCCCCCN.CCCCCCO
InChIInChI=1S/C12H27N.C6H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3-4-5-6-7/h2-13H2,1H3;7H,2-6H2,1H3
InChIKeyZWQBYXAOPONGBE-UHFFFAOYSA-N
MW287.53 g/mol
LogP5.43
Rot. Bonds14

About dodecan-1-amine;hexan-1-ol

dodecan-1-amine;hexan-1-ol (PubChem CID 90011077) has the molecular formula C18H41NO and a molecular weight of 287.53 g/mol. Its IUPAC name is dodecan-1-amine;hexan-1-ol.

Molecular Properties

Compound Namedodecan-1-amine;hexan-1-ol
PubChem CID90011077
Molecular FormulaC18H41NO
Molecular Weight287.53 g/mol
Exact Mass287.32
IUPAC Namedodecan-1-amine;hexan-1-ol
SMILESCCCCCCCCCCCCN.CCCCCCO
InChIInChI=1S/C12H27N.C6H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3-4-5-6-7/h2-13H2,1H3;7H,2-6H2,1H3
InChIKeyZWQBYXAOPONGBE-UHFFFAOYSA-N
XLogP5.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.53
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hexadecan-1-amine;propan-1-ol
CID 174670942
ethanol;octan-1-amine;hydrate
CID 174925866
2-aminoethanol;butan-1-ol
CID 23216731
dodecan-1-amine;hydroxylamine
CID 175960605
heptan-1-ol;hydrazine
CID 159330416
hexan-1-ol;nonane
CID 175106830
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
tridecan-1-amine;undecan-1-amine
CID 23045943
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398

Frequently Asked Questions

What is the IUPAC name of dodecan-1-amine;hexan-1-ol?
The IUPAC name of dodecan-1-amine;hexan-1-ol (CID 90011077) is dodecan-1-amine;hexan-1-ol.
What is the SMILES notation for dodecan-1-amine;hexan-1-ol?
The canonical SMILES for dodecan-1-amine;hexan-1-ol is CCCCCCCCCCCCN.CCCCCCO.
What is the InChIKey of dodecan-1-amine;hexan-1-ol?
The InChIKey is ZWQBYXAOPONGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C6H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3-4-5-6-7/h2-13H2,1H3;7H,2-6H2,1H3.
What are the key properties of dodecan-1-amine;hexan-1-ol?
dodecan-1-amine;hexan-1-ol has a molecular weight of 287.53 g/mol, XLogP of 5.43, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-1-amine;hexan-1-ol is sourced from PubChem (CID 90011077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).