[1-(3,4-dichlorophenyl)cyclobutyl]methyl-pentylazanium

C16H24Cl2N+ — CID 144796627

IUPAC[1-(3,4-dichlorophenyl)cyclobutyl]methyl-pentylazanium
SMILESCCCCC[NH2+]CC1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C16H23Cl2N/c1-2-3-4-10-19-12-16(8-5-9-16)13-6-7-14(17)15(18)11-13/h6-7,11,19H,2-5,8-10,12H2,1H3/p+1
InChIKeyYAVXVKVEZFIYER-UHFFFAOYSA-O
MW301.28 g/mol
LogP4.17
Rot. Bonds7

About [1-(3,4-dichlorophenyl)cyclobutyl]methyl-pentylazanium

[1-(3,4-dichlorophenyl)cyclobutyl]methyl-pentylazanium (PubChem CID 144796627) has the molecular formula C16H24Cl2N+ and a molecular weight of 301.28 g/mol. Its IUPAC name is [1-(3,4-dichlorophenyl)cyclobutyl]methyl-pentylazanium.

Molecular Properties

Compound Name[1-(3,4-dichlorophenyl)cyclobutyl]methyl-pentylazanium
PubChem CID144796627
Molecular FormulaC16H24Cl2N+
Molecular Weight301.28 g/mol
Exact Mass300.13
IUPAC Name[1-(3,4-dichlorophenyl)cyclobutyl]methyl-pentylazanium
SMILESCCCCC[NH2+]CC1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C16H23Cl2N/c1-2-3-4-10-19-12-16(8-5-9-16)13-6-7-14(17)15(18)11-13/h6-7,11,19H,2-5,8-10,12H2,1H3/p+1
InChIKeyYAVXVKVEZFIYER-UHFFFAOYSA-O
XLogP4.17
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [1-(3,4-dichlorophenyl)cyclobutyl]methyl-pentylazanium 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-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methylpentan-1-amine
CID 123183456
N-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine
CID 63511575
4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-amine;hydrochloride
CID 69397009
1-[1-(3,4-dichlorophenyl)-3,3-difluorocyclohexyl]-N,N-dimethylmethanamine
CID 68674928
N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methylcyclohexanamine
CID 23292612
(3S)-3-(3,4-dichlorophenyl)-3-(methoxymethyl)piperidine
CID 46245101
3-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol
CID 11119744
trans-(1S,3R)-3-(3,4-dichlorophenyl)-1-methyl-3-(methylaminomethyl)cyclohexan-1-ol
CID 122473356
1,2-dichloro-4-(1-methylcyclopropyl)benzene;ethane;propane
CID 143403247
cis-(1R,3S)-3-(3,4-dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol;cis-(1S,3R)-3-(3,4-dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol
CID 157186066
2-chloro-N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]acetamide
CID 13279949
[2-[1-(3,4-dichlorophenyl)cyclobutyl]-2-hydroxyethyl]-diethylazanium
CID 144796606

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dichlorophenyl)cyclobutyl]methyl-pentylazanium?
The IUPAC name of [1-(3,4-dichlorophenyl)cyclobutyl]methyl-pentylazanium (CID 144796627) is [1-(3,4-dichlorophenyl)cyclobutyl]methyl-pentylazanium.
What is the SMILES notation for [1-(3,4-dichlorophenyl)cyclobutyl]methyl-pentylazanium?
The canonical SMILES for [1-(3,4-dichlorophenyl)cyclobutyl]methyl-pentylazanium is CCCCC[NH2+]CC1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of [1-(3,4-dichlorophenyl)cyclobutyl]methyl-pentylazanium?
The InChIKey is YAVXVKVEZFIYER-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23Cl2N/c1-2-3-4-10-19-12-16(8-5-9-16)13-6-7-14(17)15(18)11-13/h6-7,11,19H,2-5,8-10,12H2,1H3/p+1.
What are the key properties of [1-(3,4-dichlorophenyl)cyclobutyl]methyl-pentylazanium?
[1-(3,4-dichlorophenyl)cyclobutyl]methyl-pentylazanium has a molecular weight of 301.28 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dichlorophenyl)cyclobutyl]methyl-pentylazanium is sourced from PubChem (CID 144796627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).