2-aminononadecane-1,1-diol;hydrobromide

C19H42BrNO2 — CID 175114917

IUPAC2-aminononadecane-1,1-diol;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCCC(N)C(O)O
InChIInChI=1S/C19H41NO2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22;/h18-19,21-22H,2-17,20H2,1H3;1H
InChIKeyGLDIYVGDKPRBEN-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.46
Rot. Bonds17

About 2-aminononadecane-1,1-diol;hydrobromide

2-aminononadecane-1,1-diol;hydrobromide (PubChem CID 175114917) has the molecular formula C19H42BrNO2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-aminononadecane-1,1-diol;hydrobromide.

Molecular Properties

Compound Name2-aminononadecane-1,1-diol;hydrobromide
PubChem CID175114917
Molecular FormulaC19H42BrNO2
Molecular Weight396.45 g/mol
Exact Mass395.24
IUPAC Name2-aminononadecane-1,1-diol;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCCC(N)C(O)O
InChIInChI=1S/C19H41NO2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22;/h18-19,21-22H,2-17,20H2,1H3;1H
InChIKeyGLDIYVGDKPRBEN-UHFFFAOYSA-N
XLogP5.46
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-aminopentadecane-1,1-diol;hydrochloride
CID 173417689
(2S)-2-aminoheptane-1,1-diol
CID 166719915
hexatriacontane-18,19-diamine
CID 57054547
hexadecane-6,7-diamine
CID 57245820
tritriacontane-16,17-diamine
CID 57106039
3-aminoicosan-2-ol
CID 19964089
13-aminoheptacosan-12-ol
CID 118194809
3-aminooctan-2-ol
CID 14271184
(2S,3S)-3-aminoheptadecane-1,2-diol
CID 10085469
hexadecane-4,5-diamine
CID 57310882
1-aminohexadecan-1-ol
CID 21475561
(3R)-2-methylundecan-3-amine
CID 167260316

Frequently Asked Questions

What is the IUPAC name of 2-aminononadecane-1,1-diol;hydrobromide?
The IUPAC name of 2-aminononadecane-1,1-diol;hydrobromide (CID 175114917) is 2-aminononadecane-1,1-diol;hydrobromide.
What is the SMILES notation for 2-aminononadecane-1,1-diol;hydrobromide?
The canonical SMILES for 2-aminononadecane-1,1-diol;hydrobromide is Br.CCCCCCCCCCCCCCCCCC(N)C(O)O.
What is the InChIKey of 2-aminononadecane-1,1-diol;hydrobromide?
The InChIKey is GLDIYVGDKPRBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22;/h18-19,21-22H,2-17,20H2,1H3;1H.
What are the key properties of 2-aminononadecane-1,1-diol;hydrobromide?
2-aminononadecane-1,1-diol;hydrobromide has a molecular weight of 396.45 g/mol, XLogP of 5.46, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminononadecane-1,1-diol;hydrobromide is sourced from PubChem (CID 175114917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).