N-cycloheptyl-N'-(3,5-dichloro-2-pyridinyl)ethane-1,2-diamine

C14H21Cl2N3 — CID 115306764

IUPACN-cycloheptyl-N'-(3,5-dichloro-2-pyridinyl)ethane-1,2-diamine
SMILESClc1cnc(NCCNC2CCCCCC2)c(Cl)c1
InChIInChI=1S/C14H21Cl2N3/c15-11-9-13(16)14(19-10-11)18-8-7-17-12-5-3-1-2-4-6-12/h9-10,12,17H,1-8H2,(H,18,19)
InChIKeyQDZACIHZVONFRY-UHFFFAOYSA-N
MW302.25 g/mol
LogP4.11
Rot. Bonds5

About N-cycloheptyl-N'-(3,5-dichloro-2-pyridinyl)ethane-1,2-diamine

N-cycloheptyl-N'-(3,5-dichloro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 115306764) has the molecular formula C14H21Cl2N3 and a molecular weight of 302.25 g/mol. Its IUPAC name is N-cycloheptyl-N'-(3,5-dichloro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cycloheptyl-N'-(3,5-dichloro-2-pyridinyl)ethane-1,2-diamine
PubChem CID115306764
Molecular FormulaC14H21Cl2N3
Molecular Weight302.25 g/mol
Exact Mass301.11
IUPAC NameN-cycloheptyl-N'-(3,5-dichloro-2-pyridinyl)ethane-1,2-diamine
SMILESClc1cnc(NCCNC2CCCCCC2)c(Cl)c1
InChIInChI=1S/C14H21Cl2N3/c15-11-9-13(16)14(19-10-11)18-8-7-17-12-5-3-1-2-4-6-12/h9-10,12,17H,1-8H2,(H,18,19)
InChIKeyQDZACIHZVONFRY-UHFFFAOYSA-N
XLogP4.11
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-(2-cyclopentyloxyethyl)pyridin-2-amine
CID 55261073
N'-(5-chloropyrimidin-4-yl)-N-cycloheptylethane-1,2-diamine
CID 105370083
3,5-dichloro-N-cyclooctylpyridin-2-amine
CID 28517961
2-cyclohexyloxy-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]acetamide
CID 87018159
N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine
CID 14397361
3,5-dichloro-N-propylpyridin-2-amine
CID 30058037
4-cyclopentyl-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]piperazine-1-carboxamide
CID 55808870
3,5-dichloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine
CID 106177550
N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine
CID 63869864
N'-(5-bromo-3-chloro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 103582726
3,5-dichloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 106026698
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 119114518

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-(3,5-dichloro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N-cycloheptyl-N'-(3,5-dichloro-2-pyridinyl)ethane-1,2-diamine (CID 115306764) is N-cycloheptyl-N'-(3,5-dichloro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N-cycloheptyl-N'-(3,5-dichloro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N-cycloheptyl-N'-(3,5-dichloro-2-pyridinyl)ethane-1,2-diamine is Clc1cnc(NCCNC2CCCCCC2)c(Cl)c1.
What is the InChIKey of N-cycloheptyl-N'-(3,5-dichloro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is QDZACIHZVONFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3/c15-11-9-13(16)14(19-10-11)18-8-7-17-12-5-3-1-2-4-6-12/h9-10,12,17H,1-8H2,(H,18,19).
What are the key properties of N-cycloheptyl-N'-(3,5-dichloro-2-pyridinyl)ethane-1,2-diamine?
N-cycloheptyl-N'-(3,5-dichloro-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 302.25 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-(3,5-dichloro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 115306764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).