3,5-dichloro-N-(4-propan-2-yloxybutyl)pyridin-2-amine

C12H18Cl2N2O — CID 114137188

IUPAC3,5-dichloro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
SMILESCC(C)OCCCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2O/c1-9(2)17-6-4-3-5-15-12-11(14)7-10(13)8-16-12/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyKUPPKJTVMSUOHR-UHFFFAOYSA-N
MW277.19 g/mol
LogP4.01
Rot. Bonds7

About 3,5-dichloro-N-(4-propan-2-yloxybutyl)pyridin-2-amine

3,5-dichloro-N-(4-propan-2-yloxybutyl)pyridin-2-amine (PubChem CID 114137188) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is 3,5-dichloro-N-(4-propan-2-yloxybutyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
PubChem CID114137188
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name3,5-dichloro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
SMILESCC(C)OCCCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2O/c1-9(2)17-6-4-3-5-15-12-11(14)7-10(13)8-16-12/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyKUPPKJTVMSUOHR-UHFFFAOYSA-N
XLogP4.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(3,5-dichloro-2-pyridinyl)amino]hexan-1-ol
CID 107849091
3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 106012540
N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine
CID 14397361
3,5-dichloro-N-propylpyridin-2-amine
CID 30058037
5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 104925322
5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104576952
6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106013674
N-[2-(2-aminoethoxy)ethyl]-3,5-dichloropyridin-2-amine
CID 63766858
5-fluoro-2-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid
CID 106003891
5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
CID 104844363
3,5-dichloro-N-(2-cyclopentyloxyethyl)pyridin-2-amine
CID 55261073
4-chloro-6-(4-propan-2-yloxybutylamino)pyrimidine-5-carbaldehyde
CID 114137328

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(4-propan-2-yloxybutyl)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-(4-propan-2-yloxybutyl)pyridin-2-amine (CID 114137188) is 3,5-dichloro-N-(4-propan-2-yloxybutyl)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-(4-propan-2-yloxybutyl)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-(4-propan-2-yloxybutyl)pyridin-2-amine is CC(C)OCCCCNc1ncc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-(4-propan-2-yloxybutyl)pyridin-2-amine?
The InChIKey is KUPPKJTVMSUOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O/c1-9(2)17-6-4-3-5-15-12-11(14)7-10(13)8-16-12/h7-9H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3,5-dichloro-N-(4-propan-2-yloxybutyl)pyridin-2-amine?
3,5-dichloro-N-(4-propan-2-yloxybutyl)pyridin-2-amine has a molecular weight of 277.19 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(4-propan-2-yloxybutyl)pyridin-2-amine is sourced from PubChem (CID 114137188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).