N-[(3,6-dichloro-2-pyridinyl)methyl]-N,3-dimethylbutan-2-amine

C12H18Cl2N2 — CID 62892495

IUPACN-[(3,6-dichloro-2-pyridinyl)methyl]-N,3-dimethylbutan-2-amine
SMILESCC(C)C(C)N(C)Cc1nc(Cl)ccc1Cl
InChIInChI=1S/C12H18Cl2N2/c1-8(2)9(3)16(4)7-11-10(13)5-6-12(14)15-11/h5-6,8-9H,7H2,1-4H3
InChIKeyXJBWTRDZCLCLSB-UHFFFAOYSA-N
MW261.20 g/mol
LogP3.86
Rot. Bonds4

About N-[(3,6-dichloro-2-pyridinyl)methyl]-N,3-dimethylbutan-2-amine

N-[(3,6-dichloro-2-pyridinyl)methyl]-N,3-dimethylbutan-2-amine (PubChem CID 62892495) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is N-[(3,6-dichloro-2-pyridinyl)methyl]-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[(3,6-dichloro-2-pyridinyl)methyl]-N,3-dimethylbutan-2-amine
PubChem CID62892495
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC NameN-[(3,6-dichloro-2-pyridinyl)methyl]-N,3-dimethylbutan-2-amine
SMILESCC(C)C(C)N(C)Cc1nc(Cl)ccc1Cl
InChIInChI=1S/C12H18Cl2N2/c1-8(2)9(3)16(4)7-11-10(13)5-6-12(14)15-11/h5-6,8-9H,7H2,1-4H3
InChIKeyXJBWTRDZCLCLSB-UHFFFAOYSA-N
XLogP3.86
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dichloro-2-pyridinyl)methyl]-N,3-dimethylbutan-2-amine?
The IUPAC name of N-[(3,6-dichloro-2-pyridinyl)methyl]-N,3-dimethylbutan-2-amine (CID 62892495) is N-[(3,6-dichloro-2-pyridinyl)methyl]-N,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[(3,6-dichloro-2-pyridinyl)methyl]-N,3-dimethylbutan-2-amine?
The canonical SMILES for N-[(3,6-dichloro-2-pyridinyl)methyl]-N,3-dimethylbutan-2-amine is CC(C)C(C)N(C)Cc1nc(Cl)ccc1Cl.
What is the InChIKey of N-[(3,6-dichloro-2-pyridinyl)methyl]-N,3-dimethylbutan-2-amine?
The InChIKey is XJBWTRDZCLCLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2/c1-8(2)9(3)16(4)7-11-10(13)5-6-12(14)15-11/h5-6,8-9H,7H2,1-4H3.
What are the key properties of N-[(3,6-dichloro-2-pyridinyl)methyl]-N,3-dimethylbutan-2-amine?
N-[(3,6-dichloro-2-pyridinyl)methyl]-N,3-dimethylbutan-2-amine has a molecular weight of 261.20 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dichloro-2-pyridinyl)methyl]-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 62892495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).