N'-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]propane-1,3-diamine

C13H18Cl2N2 — CID 113410401

IUPACN'-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]propane-1,3-diamine
SMILESClc1cccc(Cl)c1CNCCCNC1CC1
InChIInChI=1S/C13H18Cl2N2/c14-12-3-1-4-13(15)11(12)9-16-7-2-8-17-10-5-6-10/h1,3-4,10,16-17H,2,5-9H2
InChIKeyQKOIFUJBTKOFAJ-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.23
Rot. Bonds7

About N'-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]propane-1,3-diamine

N'-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]propane-1,3-diamine (PubChem CID 113410401) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is N'-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]propane-1,3-diamine
PubChem CID113410401
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC NameN'-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]propane-1,3-diamine
SMILESClc1cccc(Cl)c1CNCCCNC1CC1
InChIInChI=1S/C13H18Cl2N2/c14-12-3-1-4-13(15)11(12)9-16-7-2-8-17-10-5-6-10/h1,3-4,10,16-17H,2,5-9H2
InChIKeyQKOIFUJBTKOFAJ-UHFFFAOYSA-N
XLogP3.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chloro-3-fluorophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
CID 114024463
3-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-1-sulfonamide
CID 106030688
N-[5-(2,6-dichlorophenyl)pent-3-enyl]cyclopropanamine
CID 79593450
N-[(2-aminophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
CID 106703541
N-[3-(2-chlorophenyl)sulfanylpropyl]cyclopropanamine
CID 61385919
N-[(2,6-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454775
N'-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine
CID 113410382
N'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 113410343
N-[(2,6-dichlorophenyl)methyl]piperidin-4-amine
CID 66519808
N-[4-(2,3-dichlorophenoxy)butyl]cyclopropanamine
CID 62451053
N-[(2,6-dichlorophenyl)methyl]-3-propoxypropan-1-amine
CID 82940867
N-[(2-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine
CID 63809780

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]propane-1,3-diamine (CID 113410401) is N'-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]propane-1,3-diamine is Clc1cccc(Cl)c1CNCCCNC1CC1.
What is the InChIKey of N'-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]propane-1,3-diamine?
The InChIKey is QKOIFUJBTKOFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c14-12-3-1-4-13(15)11(12)9-16-7-2-8-17-10-5-6-10/h1,3-4,10,16-17H,2,5-9H2.
What are the key properties of N'-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]propane-1,3-diamine?
N'-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]propane-1,3-diamine has a molecular weight of 273.21 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 113410401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).