N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine

C13H19Cl2N3O — CID 63869864

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine
SMILESNC1CCC(OCCNc2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H19Cl2N3O/c14-9-7-12(15)13(18-8-9)17-5-6-19-11-3-1-10(16)2-4-11/h7-8,10-11H,1-6,16H2,(H,17,18)
InChIKeyRAMFFRDKSPPHSU-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.09
Rot. Bonds5

About N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine

N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine (PubChem CID 63869864) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine
PubChem CID63869864
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine
SMILESNC1CCC(OCCNc2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H19Cl2N3O/c14-9-7-12(15)13(18-8-9)17-5-6-19-11-3-1-10(16)2-4-11/h7-8,10-11H,1-6,16H2,(H,17,18)
InChIKeyRAMFFRDKSPPHSU-UHFFFAOYSA-N
XLogP3.09
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methoxypyrimidin-4-amine
CID 80752333
N-[2-(2-aminoethoxy)ethyl]-3,5-dichloropyridin-2-amine
CID 63766858
3-chloro-N-(2-cyclohexyloxyethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 61063880
N-cycloheptyl-N'-(3,5-dichloro-2-pyridinyl)ethane-1,2-diamine
CID 115306764
N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine
CID 14397361
3,5-dichloro-N-propylpyridin-2-amine
CID 30058037
3,5-dichloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
CID 60730538
N-[(4-aminocyclohexyl)methyl]-5-chloro-3-fluoropyridin-2-amine
CID 114147330
2-cyclohexyloxy-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]acetamide
CID 87018159
3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carboxamide
CID 63870860
N-[2-(4-aminocyclohexyl)oxyethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63870196

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine (CID 63869864) is N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine is NC1CCC(OCCNc2ncc(Cl)cc2Cl)CC1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine?
The InChIKey is RAMFFRDKSPPHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O/c14-9-7-12(15)13(18-8-9)17-5-6-19-11-3-1-10(16)2-4-11/h7-8,10-11H,1-6,16H2,(H,17,18).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine?
N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine has a molecular weight of 304.22 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine is sourced from PubChem (CID 63869864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).