1-chloro-3-(2-methylnonadecan-2-ylamino)propan-2-ol;hydrochloride

C23H49Cl2NO — CID 173082363

IUPAC1-chloro-3-(2-methylnonadecan-2-ylamino)propan-2-ol;hydrochloride
SMILESCCCCCCCCCCCCCCCCCC(C)(C)NCC(O)CCl.Cl
InChIInChI=1S/C23H48ClNO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(2,3)25-21-22(26)20-24;/h22,25-26H,4-21H2,1-3H3;1H
InChIKeyPJUXGTAWVCWZSO-UHFFFAOYSA-N
MW426.56 g/mol
LogP7.64
Rot. Bonds20

About 1-chloro-3-(2-methylnonadecan-2-ylamino)propan-2-ol;hydrochloride

1-chloro-3-(2-methylnonadecan-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 173082363) has the molecular formula C23H49Cl2NO and a molecular weight of 426.56 g/mol. Its IUPAC name is 1-chloro-3-(2-methylnonadecan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-chloro-3-(2-methylnonadecan-2-ylamino)propan-2-ol;hydrochloride
PubChem CID173082363
Molecular FormulaC23H49Cl2NO
Molecular Weight426.56 g/mol
Exact Mass425.32
IUPAC Name1-chloro-3-(2-methylnonadecan-2-ylamino)propan-2-ol;hydrochloride
SMILESCCCCCCCCCCCCCCCCCC(C)(C)NCC(O)CCl.Cl
InChIInChI=1S/C23H48ClNO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(2,3)25-21-22(26)20-24;/h22,25-26H,4-21H2,1-3H3;1H
InChIKeyPJUXGTAWVCWZSO-UHFFFAOYSA-N
XLogP7.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 57.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-methyloctan-2-amine
CID 123477104
3-(7-methyltridecan-7-ylamino)propane-1,2-diol
CID 130426560
1-(tert-butylamino)octan-2-ol
CID 62774713
1-chlorononadecan-2-ol
CID 54013510
(2R)-1-chlorooctan-2-ol
CID 12575177
1-chloro-3-(4-heptylanilino)propan-2-ol
CID 168640950
1,2-bis(2-methylundecan-2-yl)hydrazine
CID 151976473
3-(2-methyltridecan-2-ylamino)propane-1-sulfonic acid
CID 18699565
1-(2-methylbutan-2-ylamino)butan-2-ol
CID 20673371
N-(1-chloro-2-methylpropan-2-yl)hexan-1-amine
CID 65026682
1-chloro-3-(propylamino)propan-2-ol
CID 55301925
2-[2-[2-[2-(2-methylpentadecan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol
CID 138401408

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-methylnonadecan-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-chloro-3-(2-methylnonadecan-2-ylamino)propan-2-ol;hydrochloride (CID 173082363) is 1-chloro-3-(2-methylnonadecan-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-chloro-3-(2-methylnonadecan-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-chloro-3-(2-methylnonadecan-2-ylamino)propan-2-ol;hydrochloride is CCCCCCCCCCCCCCCCCC(C)(C)NCC(O)CCl.Cl.
What is the InChIKey of 1-chloro-3-(2-methylnonadecan-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is PJUXGTAWVCWZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48ClNO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(2,3)25-21-22(26)20-24;/h22,25-26H,4-21H2,1-3H3;1H.
What are the key properties of 1-chloro-3-(2-methylnonadecan-2-ylamino)propan-2-ol;hydrochloride?
1-chloro-3-(2-methylnonadecan-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 426.56 g/mol, XLogP of 7.64, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-methylnonadecan-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 173082363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).