3-chloro-N-(2-chloro-4,4-dimethylpentyl)pyridin-4-amine

C12H18Cl2N2 — CID 107156107

IUPAC3-chloro-N-(2-chloro-4,4-dimethylpentyl)pyridin-4-amine
SMILESCC(C)(C)CC(Cl)CNc1ccncc1Cl
InChIInChI=1S/C12H18Cl2N2/c1-12(2,3)6-9(13)7-16-11-4-5-15-8-10(11)14/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyHGAPIEHTUPSNFZ-UHFFFAOYSA-N
MW261.20 g/mol
LogP4.19
Rot. Bonds4

About 3-chloro-N-(2-chloro-4,4-dimethylpentyl)pyridin-4-amine

3-chloro-N-(2-chloro-4,4-dimethylpentyl)pyridin-4-amine (PubChem CID 107156107) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 3-chloro-N-(2-chloro-4,4-dimethylpentyl)pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-(2-chloro-4,4-dimethylpentyl)pyridin-4-amine
PubChem CID107156107
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name3-chloro-N-(2-chloro-4,4-dimethylpentyl)pyridin-4-amine
SMILESCC(C)(C)CC(Cl)CNc1ccncc1Cl
InChIInChI=1S/C12H18Cl2N2/c1-12(2,3)6-9(13)7-16-11-4-5-15-8-10(11)14/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyHGAPIEHTUPSNFZ-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine
CID 115303812
3-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 79769796
3-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-4-amine
CID 106117270
3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-4-amine
CID 104577268
N-(3-chloro-4-pyridinyl)-2-propylbutane-1,4-diamine
CID 106116507
2-[(3-chloro-4-pyridinyl)amino]-1-phenylethanol
CID 79839104
1-N-(3-chloro-4-pyridinyl)-2-ethylbutane-1,2-diamine
CID 115306332
3-chloro-N-(4-methylpentyl)pyridin-4-amine
CID 79839670
2-[(3-chloro-4-pyridinyl)amino]-1-(4-methoxyphenyl)ethanol
CID 133351741
N-(2-chloro-4,4-dimethylpentyl)pyridine-3-sulfonamide
CID 107158011
N-(2-chloropropyl)-3-methylpyridin-4-amine
CID 65027865
3-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridin-4-amine
CID 104624053

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloro-4,4-dimethylpentyl)pyridin-4-amine?
The IUPAC name of 3-chloro-N-(2-chloro-4,4-dimethylpentyl)pyridin-4-amine (CID 107156107) is 3-chloro-N-(2-chloro-4,4-dimethylpentyl)pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-(2-chloro-4,4-dimethylpentyl)pyridin-4-amine?
The canonical SMILES for 3-chloro-N-(2-chloro-4,4-dimethylpentyl)pyridin-4-amine is CC(C)(C)CC(Cl)CNc1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(2-chloro-4,4-dimethylpentyl)pyridin-4-amine?
The InChIKey is HGAPIEHTUPSNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2/c1-12(2,3)6-9(13)7-16-11-4-5-15-8-10(11)14/h4-5,8-9H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 3-chloro-N-(2-chloro-4,4-dimethylpentyl)pyridin-4-amine?
3-chloro-N-(2-chloro-4,4-dimethylpentyl)pyridin-4-amine has a molecular weight of 261.20 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloro-4,4-dimethylpentyl)pyridin-4-amine is sourced from PubChem (CID 107156107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).