N,N-dibutyl-4-(chloromethyl)pyridin-2-amine

C14H23ClN2 — CID 63445297

IUPACN,N-dibutyl-4-(chloromethyl)pyridin-2-amine
SMILESCCCCN(CCCC)c1cc(CCl)ccn1
InChIInChI=1S/C14H23ClN2/c1-3-5-9-17(10-6-4-2)14-11-13(12-15)7-8-16-14/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeySHPZJNFSWOLCLA-UHFFFAOYSA-N
MW254.80 g/mol
LogP4.23
Rot. Bonds8

About N,N-dibutyl-4-(chloromethyl)pyridin-2-amine

N,N-dibutyl-4-(chloromethyl)pyridin-2-amine (PubChem CID 63445297) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is N,N-dibutyl-4-(chloromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN,N-dibutyl-4-(chloromethyl)pyridin-2-amine
PubChem CID63445297
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC NameN,N-dibutyl-4-(chloromethyl)pyridin-2-amine
SMILESCCCCN(CCCC)c1cc(CCl)ccn1
InChIInChI=1S/C14H23ClN2/c1-3-5-9-17(10-6-4-2)14-11-13(12-15)7-8-16-14/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeySHPZJNFSWOLCLA-UHFFFAOYSA-N
XLogP4.23
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 54.23
H-Bond Donors ≤ 50
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,N-dibutyl-4-(chloromethyl)pyridin-2-amine?
The IUPAC name of N,N-dibutyl-4-(chloromethyl)pyridin-2-amine (CID 63445297) is N,N-dibutyl-4-(chloromethyl)pyridin-2-amine.
What is the SMILES notation for N,N-dibutyl-4-(chloromethyl)pyridin-2-amine?
The canonical SMILES for N,N-dibutyl-4-(chloromethyl)pyridin-2-amine is CCCCN(CCCC)c1cc(CCl)ccn1.
What is the InChIKey of N,N-dibutyl-4-(chloromethyl)pyridin-2-amine?
The InChIKey is SHPZJNFSWOLCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-3-5-9-17(10-6-4-2)14-11-13(12-15)7-8-16-14/h7-8,11H,3-6,9-10,12H2,1-2H3.
What are the key properties of N,N-dibutyl-4-(chloromethyl)pyridin-2-amine?
N,N-dibutyl-4-(chloromethyl)pyridin-2-amine has a molecular weight of 254.80 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-(chloromethyl)pyridin-2-amine is sourced from PubChem (CID 63445297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).