N-[5-(2,6-dichlorophenyl)pent-3-enyl]cyclopropanamine

C14H17Cl2N — CID 79593450

IUPACN-[5-(2,6-dichlorophenyl)pent-3-enyl]cyclopropanamine
SMILESClc1cccc(Cl)c1CC=CCCNC1CC1
InChIInChI=1S/C14H17Cl2N/c15-13-6-4-7-14(16)12(13)5-2-1-3-10-17-11-8-9-11/h1-2,4,6-7,11,17H,3,5,8-10H2
InChIKeyMNAFSKKKTXDSGO-UHFFFAOYSA-N
MW270.20 g/mol
LogP4.23
Rot. Bonds6

About N-[5-(2,6-dichlorophenyl)pent-3-enyl]cyclopropanamine

N-[5-(2,6-dichlorophenyl)pent-3-enyl]cyclopropanamine (PubChem CID 79593450) has the molecular formula C14H17Cl2N and a molecular weight of 270.20 g/mol. Its IUPAC name is N-[5-(2,6-dichlorophenyl)pent-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(2,6-dichlorophenyl)pent-3-enyl]cyclopropanamine
PubChem CID79593450
Molecular FormulaC14H17Cl2N
Molecular Weight270.20 g/mol
Exact Mass269.07
IUPAC NameN-[5-(2,6-dichlorophenyl)pent-3-enyl]cyclopropanamine
SMILESClc1cccc(Cl)c1CC=CCCNC1CC1
InChIInChI=1S/C14H17Cl2N/c15-13-6-4-7-14(16)12(13)5-2-1-3-10-17-11-8-9-11/h1-2,4,6-7,11,17H,3,5,8-10H2
InChIKeyMNAFSKKKTXDSGO-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[5-(2,6-dichlorophenyl)pent-3-enyl]cyclopropanamine 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-[5-(5-chlorothiophen-2-yl)pent-3-enyl]cyclopropanamine
CID 79590346
N'-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]propane-1,3-diamine
CID 113410401
5-(2,6-dichlorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79598142
N-[5-(3-bromothiophen-2-yl)pent-3-enyl]cyclopropanamine
CID 79591623
N-[(E)-4-(3-chloro-4-methylphenyl)but-3-enyl]cyclopropanamine
CID 107561085
N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine
CID 43280283
N-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopentanamine
CID 60984156
N-[(2,6-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454775
N-[(2,6-dichlorophenyl)methyl]piperidin-4-amine
CID 66519808
N-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 83307890
N-[5-(2-methyl-1,3-thiazol-4-yl)pent-3-enyl]cyclopropanamine
CID 79590603
N-[2-[(2,6-dichlorophenyl)methyl]-2-methylpentyl]cyclopropanamine
CID 63509602

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-dichlorophenyl)pent-3-enyl]cyclopropanamine?
The IUPAC name of N-[5-(2,6-dichlorophenyl)pent-3-enyl]cyclopropanamine (CID 79593450) is N-[5-(2,6-dichlorophenyl)pent-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[5-(2,6-dichlorophenyl)pent-3-enyl]cyclopropanamine?
The canonical SMILES for N-[5-(2,6-dichlorophenyl)pent-3-enyl]cyclopropanamine is Clc1cccc(Cl)c1CC=CCCNC1CC1.
What is the InChIKey of N-[5-(2,6-dichlorophenyl)pent-3-enyl]cyclopropanamine?
The InChIKey is MNAFSKKKTXDSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N/c15-13-6-4-7-14(16)12(13)5-2-1-3-10-17-11-8-9-11/h1-2,4,6-7,11,17H,3,5,8-10H2.
What are the key properties of N-[5-(2,6-dichlorophenyl)pent-3-enyl]cyclopropanamine?
N-[5-(2,6-dichlorophenyl)pent-3-enyl]cyclopropanamine has a molecular weight of 270.20 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-dichlorophenyl)pent-3-enyl]cyclopropanamine is sourced from PubChem (CID 79593450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).