5-tert-butyl-N-(4-chloro-2-methylbutyl)pyridin-2-amine

C14H23ClN2 — CID 107875580

IUPAC5-tert-butyl-N-(4-chloro-2-methylbutyl)pyridin-2-amine
SMILESCC(CCCl)CNc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C14H23ClN2/c1-11(7-8-15)9-16-13-6-5-12(10-17-13)14(2,3)4/h5-6,10-11H,7-9H2,1-4H3,(H,16,17)
InChIKeyXSHJKOAMSLPGBW-UHFFFAOYSA-N
MW254.80 g/mol
LogP4.06
Rot. Bonds5

About 5-tert-butyl-N-(4-chloro-2-methylbutyl)pyridin-2-amine

5-tert-butyl-N-(4-chloro-2-methylbutyl)pyridin-2-amine (PubChem CID 107875580) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 5-tert-butyl-N-(4-chloro-2-methylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(4-chloro-2-methylbutyl)pyridin-2-amine
PubChem CID107875580
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name5-tert-butyl-N-(4-chloro-2-methylbutyl)pyridin-2-amine
SMILESCC(CCCl)CNc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C14H23ClN2/c1-11(7-8-15)9-16-13-6-5-12(10-17-13)14(2,3)4/h5-6,10-11H,7-9H2,1-4H3,(H,16,17)
InChIKeyXSHJKOAMSLPGBW-UHFFFAOYSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 54.06
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

N-(5-tert-butyl-2-pyridinyl)-2-methylbutane-1,4-diamine
CID 107875694
5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine
CID 107874830
5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine
CID 107874875
5-tert-butyl-N-(5-chloropentan-2-yl)pyridin-2-amine
CID 107875581
N-(4-chloro-2-methylbutyl)quinoxalin-2-amine
CID 66089943
N-(2-methylbutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 62693316
5-tert-butyl-N-(2-phenylpropyl)pyridin-2-amine
CID 107874865
5-tert-butyl-N-(4-chloro-3-methylbutan-2-yl)pyridin-2-amine
CID 107875628
5-(2-methylbutan-2-yl)-N-(2-methylpropyl)pyridin-2-amine
CID 163630716
5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol
CID 106129039
N-(4-chloro-2-methylbutyl)-2-methylpyrimidin-4-amine
CID 66089481
5-tert-butyl-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine
CID 107875611

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(4-chloro-2-methylbutyl)pyridin-2-amine?
The IUPAC name of 5-tert-butyl-N-(4-chloro-2-methylbutyl)pyridin-2-amine (CID 107875580) is 5-tert-butyl-N-(4-chloro-2-methylbutyl)pyridin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-(4-chloro-2-methylbutyl)pyridin-2-amine?
The canonical SMILES for 5-tert-butyl-N-(4-chloro-2-methylbutyl)pyridin-2-amine is CC(CCCl)CNc1ccc(C(C)(C)C)cn1.
What is the InChIKey of 5-tert-butyl-N-(4-chloro-2-methylbutyl)pyridin-2-amine?
The InChIKey is XSHJKOAMSLPGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-11(7-8-15)9-16-13-6-5-12(10-17-13)14(2,3)4/h5-6,10-11H,7-9H2,1-4H3,(H,16,17).
What are the key properties of 5-tert-butyl-N-(4-chloro-2-methylbutyl)pyridin-2-amine?
5-tert-butyl-N-(4-chloro-2-methylbutyl)pyridin-2-amine has a molecular weight of 254.80 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(4-chloro-2-methylbutyl)pyridin-2-amine is sourced from PubChem (CID 107875580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).