5-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-2-amine

C12H18Cl2N2 — CID 106117269

IUPAC5-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-2-amine
SMILESCCCC(CCCl)CNc1ccc(Cl)cn1
InChIInChI=1S/C12H18Cl2N2/c1-2-3-10(6-7-13)8-15-12-5-4-11(14)9-16-12/h4-5,9-10H,2-3,6-8H2,1H3,(H,15,16)
InChIKeyALIYKBXEPJODOX-UHFFFAOYSA-N
MW261.20 g/mol
LogP4.19
Rot. Bonds7

About 5-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-2-amine

5-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-2-amine (PubChem CID 106117269) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-2-amine
PubChem CID106117269
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name5-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-2-amine
SMILESCCCC(CCCl)CNc1ccc(Cl)cn1
InChIInChI=1S/C12H18Cl2N2/c1-2-3-10(6-7-13)8-15-12-5-4-11(14)9-16-12/h4-5,9-10H,2-3,6-8H2,1H3,(H,15,16)
InChIKeyALIYKBXEPJODOX-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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'}

Analyze 5-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-chloroethyl)pentyl]-2-methylpyrimidin-4-amine
CID 106117297
5-chloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine
CID 79035520
3-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-4-amine
CID 106117270
5-chloro-N-hexan-3-ylpyridin-2-amine
CID 62117278
N-[2-(2-chloroethyl)pentyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106117408
3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82316740
5-chloro-N-(3-chlorobutyl)pyridin-2-amine
CID 65028422
5-chloro-N-(2-cyclopropylpropyl)pyridin-2-amine
CID 115658742
N-[2-(2-chloroethyl)pentyl]-6-(trifluoromethyl)pyridin-2-amine
CID 114145631
N-[2-(2-chloroethyl)pentyl]-6-propan-2-yloxypyrazin-2-amine
CID 106117265
5-chloro-N-hex-1-yn-3-ylpyridin-2-amine
CID 106231577
N'-(5-chloro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine
CID 115366147

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-2-amine (CID 106117269) is 5-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-2-amine is CCCC(CCCl)CNc1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-2-amine?
The InChIKey is ALIYKBXEPJODOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2/c1-2-3-10(6-7-13)8-15-12-5-4-11(14)9-16-12/h4-5,9-10H,2-3,6-8H2,1H3,(H,15,16).
What are the key properties of 5-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-2-amine?
5-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-2-amine has a molecular weight of 261.20 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-2-amine is sourced from PubChem (CID 106117269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).