2-(dimethylamino)heptadecan-2-ol

C19H41NO — CID 57269512

IUPAC2-(dimethylamino)heptadecan-2-ol
SMILESCCCCCCCCCCCCCCCC(C)(O)N(C)C
InChIInChI=1S/C19H41NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2,21)20(3)4/h21H,5-18H2,1-4H3
InChIKeyCSAJDIAZAPGYTL-UHFFFAOYSA-N
MW299.54 g/mol
LogP5.74
Rot. Bonds15

About 2-(dimethylamino)heptadecan-2-ol

2-(dimethylamino)heptadecan-2-ol (PubChem CID 57269512) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is 2-(dimethylamino)heptadecan-2-ol.

Molecular Properties

Compound Name2-(dimethylamino)heptadecan-2-ol
PubChem CID57269512
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC Name2-(dimethylamino)heptadecan-2-ol
SMILESCCCCCCCCCCCCCCCC(C)(O)N(C)C
InChIInChI=1S/C19H41NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2,21)20(3)4/h21H,5-18H2,1-4H3
InChIKeyCSAJDIAZAPGYTL-UHFFFAOYSA-N
XLogP5.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.54
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-11-pentylhenicosan-11-amine
CID 175528933
7-hexyl-N,N-dimethylhexadecan-7-amine;hydrochloride
CID 173284262
N,N-dimethyl-6-pentylundecan-6-amine
CID 170848103
2,2-dimethylhenicosane-3,3-diol
CID 141289223
2-(dimethylamino)-2-methyltetradecanoic acid
CID 11565995
13-methylheptacosan-13-ol
CID 87343529
2-methyldodecan-2-ol
CID 547702
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
N,N,2-trimethyltridecan-2-amine;hydrochloride
CID 175023190
21-nonyl-N,N-dipropylhentetracontan-21-amine
CID 155011902
2,2,3-trimethylheptadecane-3,4,4-triol
CID 87189677

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)heptadecan-2-ol?
The IUPAC name of 2-(dimethylamino)heptadecan-2-ol (CID 57269512) is 2-(dimethylamino)heptadecan-2-ol.
What is the SMILES notation for 2-(dimethylamino)heptadecan-2-ol?
The canonical SMILES for 2-(dimethylamino)heptadecan-2-ol is CCCCCCCCCCCCCCCC(C)(O)N(C)C.
What is the InChIKey of 2-(dimethylamino)heptadecan-2-ol?
The InChIKey is CSAJDIAZAPGYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2,21)20(3)4/h21H,5-18H2,1-4H3.
What are the key properties of 2-(dimethylamino)heptadecan-2-ol?
2-(dimethylamino)heptadecan-2-ol has a molecular weight of 299.54 g/mol, XLogP of 5.74, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)heptadecan-2-ol is sourced from PubChem (CID 57269512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).