2-aminononadecan-1-ol

C19H41NO — CID 87201322

IUPAC2-aminononadecan-1-ol
SMILESCCCCCCCCCCCCCCCCCC(N)CO
InChIInChI=1S/C19H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)18-21/h19,21H,2-18,20H2,1H3
InChIKeyQMCBFQZGWTTXTD-UHFFFAOYSA-N
MW299.54 g/mol
LogP5.57
Rot. Bonds17

About 2-aminononadecan-1-ol

2-aminononadecan-1-ol (PubChem CID 87201322) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is 2-aminononadecan-1-ol.

Molecular Properties

Compound Name2-aminononadecan-1-ol
PubChem CID87201322
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC Name2-aminononadecan-1-ol
SMILESCCCCCCCCCCCCCCCCCC(N)CO
InChIInChI=1S/C19H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)18-21/h19,21H,2-18,20H2,1H3
InChIKeyQMCBFQZGWTTXTD-UHFFFAOYSA-N
XLogP5.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.54
LogP ≤ 55.57
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

(2S)-2-aminoundecan-1-ol
CID 98129192
2,7-diaminononan-1-ol
CID 141295191
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
2-aminooctadecane-1,4-diol
CID 12701355
(2R,4R)-2-aminooctadecane-1,4-diol
CID 12701356
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
3-aminononan-1-ol;hydrochloride
CID 55255753
tridecan-3-amine
CID 19435959
(4R)-tridecan-4-amine
CID 150614684
icosane-5,10,16-triamine
CID 88870264

Frequently Asked Questions

What is the IUPAC name of 2-aminononadecan-1-ol?
The IUPAC name of 2-aminononadecan-1-ol (CID 87201322) is 2-aminononadecan-1-ol.
What is the SMILES notation for 2-aminononadecan-1-ol?
The canonical SMILES for 2-aminononadecan-1-ol is CCCCCCCCCCCCCCCCCC(N)CO.
What is the InChIKey of 2-aminononadecan-1-ol?
The InChIKey is QMCBFQZGWTTXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)18-21/h19,21H,2-18,20H2,1H3.
What are the key properties of 2-aminononadecan-1-ol?
2-aminononadecan-1-ol has a molecular weight of 299.54 g/mol, XLogP of 5.57, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminononadecan-1-ol is sourced from PubChem (CID 87201322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).