4,4-dimethylicosan-5-amine;hydrobromide

C22H48BrN — CID 173152006

IUPAC4,4-dimethylicosan-5-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCC(N)C(C)(C)CCC
InChIInChI=1S/C22H47N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22(3,4)20-6-2;/h21H,5-20,23H2,1-4H3;1H
InChIKeyFDLOIHHUCLYJHM-UHFFFAOYSA-N
MW406.54 g/mol
LogP8.20
Rot. Bonds17

About 4,4-dimethylicosan-5-amine;hydrobromide

4,4-dimethylicosan-5-amine;hydrobromide (PubChem CID 173152006) has the molecular formula C22H48BrN and a molecular weight of 406.54 g/mol. Its IUPAC name is 4,4-dimethylicosan-5-amine;hydrobromide.

Molecular Properties

Compound Name4,4-dimethylicosan-5-amine;hydrobromide
PubChem CID173152006
Molecular FormulaC22H48BrN
Molecular Weight406.54 g/mol
Exact Mass405.30
IUPAC Name4,4-dimethylicosan-5-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCC(N)C(C)(C)CCC
InChIInChI=1S/C22H47N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22(3,4)20-6-2;/h21H,5-20,23H2,1-4H3;1H
InChIKeyFDLOIHHUCLYJHM-UHFFFAOYSA-N
XLogP8.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.54
LogP ≤ 58.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethylnonan-5-amine
CID 87513740
(3R)-2,2-dimethylpentadecan-3-amine
CID 124525155
2,2-dimethyldodecan-3-amine
CID 43370499
2-methyldecane-2,3-diamine
CID 87934186
(3S)-2,2-dimethyloctan-3-amine
CID 93237613
2-N,2-N,2-trimethylnonane-2,3-diamine
CID 79053375
4,4-dimethyldocosan-5-ylphosphane
CID 87753926
15-tetradecyltriacontane-15,16-diamine
CID 129286411
11,11,12-tributyloctacosan-10-amine
CID 87948518
5-butyl-5-ethylhenicosan-6-amine
CID 87754040
14-aminohexacosane-13,13-diol
CID 19607501
15,15-dimethylnonacosan-10-amine
CID 175397632

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylicosan-5-amine;hydrobromide?
The IUPAC name of 4,4-dimethylicosan-5-amine;hydrobromide (CID 173152006) is 4,4-dimethylicosan-5-amine;hydrobromide.
What is the SMILES notation for 4,4-dimethylicosan-5-amine;hydrobromide?
The canonical SMILES for 4,4-dimethylicosan-5-amine;hydrobromide is Br.CCCCCCCCCCCCCCCC(N)C(C)(C)CCC.
What is the InChIKey of 4,4-dimethylicosan-5-amine;hydrobromide?
The InChIKey is FDLOIHHUCLYJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22(3,4)20-6-2;/h21H,5-20,23H2,1-4H3;1H.
What are the key properties of 4,4-dimethylicosan-5-amine;hydrobromide?
4,4-dimethylicosan-5-amine;hydrobromide has a molecular weight of 406.54 g/mol, XLogP of 8.20, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylicosan-5-amine;hydrobromide is sourced from PubChem (CID 173152006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).