N,N-dimethylicosan-7-amine;hydrobromide

C22H48BrN — CID 173410689

IUPACN,N-dimethylicosan-7-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCC(CCCCCC)N(C)C
InChIInChI=1S/C22H47N.BrH/c1-5-7-9-11-12-13-14-15-16-17-19-21-22(23(3)4)20-18-10-8-6-2;/h22H,5-21H2,1-4H3;1H
InChIKeyAOKAZRKGKVTWNB-UHFFFAOYSA-N
MW406.54 g/mol
LogP8.17
Rot. Bonds18

About N,N-dimethylicosan-7-amine;hydrobromide

N,N-dimethylicosan-7-amine;hydrobromide (PubChem CID 173410689) has the molecular formula C22H48BrN and a molecular weight of 406.54 g/mol. Its IUPAC name is N,N-dimethylicosan-7-amine;hydrobromide.

Molecular Properties

Compound NameN,N-dimethylicosan-7-amine;hydrobromide
PubChem CID173410689
Molecular FormulaC22H48BrN
Molecular Weight406.54 g/mol
Exact Mass405.30
IUPAC NameN,N-dimethylicosan-7-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCC(CCCCCC)N(C)C
InChIInChI=1S/C22H47N.BrH/c1-5-7-9-11-12-13-14-15-16-17-19-21-22(23(3)4)20-18-10-8-6-2;/h22H,5-21H2,1-4H3;1H
InChIKeyAOKAZRKGKVTWNB-UHFFFAOYSA-N
XLogP8.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.54
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dimethylicosan-7-amine;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
N,N-dimethylicosan-5-amine
CID 19862397
1-chloro-N,N-dimethylheptadecan-6-amine;hydrobromide
CID 173305145
16-bromo-N,N-dimethylhexadecan-8-amine;hydrobromide
CID 175431925
(Z)-N,N-dimethyltetratriacont-25-en-17-amine
CID 87229276
(Z,10R)-N,N-dimethylnonacos-17-en-10-amine
CID 126711357
N,N-dimethyltetracos-17-en-9-amine
CID 123150200
N,N-dimethyldotriacont-24-en-10-amine
CID 175230423
1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine
CID 91061045
N,N-dimethyl-21-[(1S,2R)-2-octylcyclopropyl]henicosan-10-amine
CID 56944623

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylicosan-7-amine;hydrobromide?
The IUPAC name of N,N-dimethylicosan-7-amine;hydrobromide (CID 173410689) is N,N-dimethylicosan-7-amine;hydrobromide.
What is the SMILES notation for N,N-dimethylicosan-7-amine;hydrobromide?
The canonical SMILES for N,N-dimethylicosan-7-amine;hydrobromide is Br.CCCCCCCCCCCCCC(CCCCCC)N(C)C.
What is the InChIKey of N,N-dimethylicosan-7-amine;hydrobromide?
The InChIKey is AOKAZRKGKVTWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N.BrH/c1-5-7-9-11-12-13-14-15-16-17-19-21-22(23(3)4)20-18-10-8-6-2;/h22H,5-21H2,1-4H3;1H.
What are the key properties of N,N-dimethylicosan-7-amine;hydrobromide?
N,N-dimethylicosan-7-amine;hydrobromide has a molecular weight of 406.54 g/mol, XLogP of 8.17, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylicosan-7-amine;hydrobromide is sourced from PubChem (CID 173410689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).