4-amino-2-methylnonadecan-2-ol

C20H43NO — CID 54338746

IUPAC4-amino-2-methylnonadecan-2-ol
SMILESCCCCCCCCCCCCCCCC(N)CC(C)(C)O
InChIInChI=1S/C20H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(2,3)22/h19,22H,4-18,21H2,1-3H3
InChIKeyTXKJKEKSNTWXEA-UHFFFAOYSA-N
MW313.57 g/mol
LogP5.96
Rot. Bonds16

About 4-amino-2-methylnonadecan-2-ol

4-amino-2-methylnonadecan-2-ol (PubChem CID 54338746) has the molecular formula C20H43NO and a molecular weight of 313.57 g/mol. Its IUPAC name is 4-amino-2-methylnonadecan-2-ol.

Molecular Properties

Compound Name4-amino-2-methylnonadecan-2-ol
PubChem CID54338746
Molecular FormulaC20H43NO
Molecular Weight313.57 g/mol
Exact Mass313.33
IUPAC Name4-amino-2-methylnonadecan-2-ol
SMILESCCCCCCCCCCCCCCCC(N)CC(C)(C)O
InChIInChI=1S/C20H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(2,3)22/h19,22H,4-18,21H2,1-3H3
InChIKeyTXKJKEKSNTWXEA-UHFFFAOYSA-N
XLogP5.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.57
LogP ≤ 55.96
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

Heptaminol
CID 3590
2-Heptanol, 6-amino-2-methyl-, (6S)-
CID 6604269
1-Amino-2-methyloctan-2-ol
CID 11073711
Diisopropylethalamine
CID 129869718
Aminodimethyloctadecanol
CID 140119201
11-Amino-2-methylundecan-2-ol
CID 15531485
1-(1-Aminooctyl)cyclohexan-1-ol
CID 15638572
(Tributyl-2-hydroxyethyl)ammonium bromide
CID 176507252
(6R)-6-amino-2-methylheptan-2-ol
CID 7033975
3-Amino-2-methylnonan-2-ol
CID 13585930
1-(1-Aminoethyl)cycloheptan-1-ol
CID 18373857
7-Amino-2-methylheptan-2-ol
CID 18617520

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylnonadecan-2-ol?
The IUPAC name of 4-amino-2-methylnonadecan-2-ol (CID 54338746) is 4-amino-2-methylnonadecan-2-ol.
What is the SMILES notation for 4-amino-2-methylnonadecan-2-ol?
The canonical SMILES for 4-amino-2-methylnonadecan-2-ol is CCCCCCCCCCCCCCCC(N)CC(C)(C)O.
What is the InChIKey of 4-amino-2-methylnonadecan-2-ol?
The InChIKey is TXKJKEKSNTWXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(2,3)22/h19,22H,4-18,21H2,1-3H3.
What are the key properties of 4-amino-2-methylnonadecan-2-ol?
4-amino-2-methylnonadecan-2-ol has a molecular weight of 313.57 g/mol, XLogP of 5.96, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylnonadecan-2-ol is sourced from PubChem (CID 54338746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).