N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine

C10H14Cl2N2 — CID 107867262

IUPACN-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine
SMILESCCC(CCl)(CCl)Nc1ccccn1
InChIInChI=1S/C10H14Cl2N2/c1-2-10(7-11,8-12)14-9-5-3-4-6-13-9/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyFXZVCCIBDNGVCW-UHFFFAOYSA-N
MW233.14 g/mol
LogP3.12
Rot. Bonds5

About N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine

N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine (PubChem CID 107867262) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine
PubChem CID107867262
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC NameN-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine
SMILESCCC(CCl)(CCl)Nc1ccccn1
InChIInChI=1S/C10H14Cl2N2/c1-2-10(7-11,8-12)14-9-5-3-4-6-13-9/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyFXZVCCIBDNGVCW-UHFFFAOYSA-N
XLogP3.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine?
The IUPAC name of N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine (CID 107867262) is N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine.
What is the SMILES notation for N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine?
The canonical SMILES for N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine is CCC(CCl)(CCl)Nc1ccccn1.
What is the InChIKey of N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine?
The InChIKey is FXZVCCIBDNGVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2/c1-2-10(7-11,8-12)14-9-5-3-4-6-13-9/h3-6H,2,7-8H2,1H3,(H,13,14).
What are the key properties of N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine?
N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine has a molecular weight of 233.14 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine is sourced from PubChem (CID 107867262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).