5-tert-butyl-N-(5-chloropentan-2-yl)pyridin-2-amine

C14H23ClN2 — CID 107875581

IUPAC5-tert-butyl-N-(5-chloropentan-2-yl)pyridin-2-amine
SMILESCC(CCCCl)Nc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C14H23ClN2/c1-11(6-5-9-15)17-13-8-7-12(10-16-13)14(2,3)4/h7-8,10-11H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyVWQMULBTWUQSAW-UHFFFAOYSA-N
MW254.80 g/mol
LogP4.20
Rot. Bonds5

About 5-tert-butyl-N-(5-chloropentan-2-yl)pyridin-2-amine

5-tert-butyl-N-(5-chloropentan-2-yl)pyridin-2-amine (PubChem CID 107875581) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 5-tert-butyl-N-(5-chloropentan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(5-chloropentan-2-yl)pyridin-2-amine
PubChem CID107875581
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name5-tert-butyl-N-(5-chloropentan-2-yl)pyridin-2-amine
SMILESCC(CCCCl)Nc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C14H23ClN2/c1-11(6-5-9-15)17-13-8-7-12(10-16-13)14(2,3)4/h7-8,10-11H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyVWQMULBTWUQSAW-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
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-(6-methylheptan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63539653
4-N-(5-tert-butyl-2-pyridinyl)pentane-2,4-diamine
CID 107875701
5-tert-butyl-N-(4-chloro-3-methylbutan-2-yl)pyridin-2-amine
CID 107875628
5-tert-butyl-N-(4-chloro-2-methylbutyl)pyridin-2-amine
CID 107875580
N-(1-chloro-4,4-dimethylpentan-3-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 106354398
5-tert-butyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-2-amine
CID 107874721
5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol
CID 106129039
5-tert-butyl-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine
CID 107875611
2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 107874578
5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine
CID 107874830
5-chloro-N-(5-methylhexan-2-yl)pyridin-2-amine
CID 63925701
5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine
CID 107874875

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(5-chloropentan-2-yl)pyridin-2-amine?
The IUPAC name of 5-tert-butyl-N-(5-chloropentan-2-yl)pyridin-2-amine (CID 107875581) is 5-tert-butyl-N-(5-chloropentan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-(5-chloropentan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-tert-butyl-N-(5-chloropentan-2-yl)pyridin-2-amine is CC(CCCCl)Nc1ccc(C(C)(C)C)cn1.
What is the InChIKey of 5-tert-butyl-N-(5-chloropentan-2-yl)pyridin-2-amine?
The InChIKey is VWQMULBTWUQSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-11(6-5-9-15)17-13-8-7-12(10-16-13)14(2,3)4/h7-8,10-11H,5-6,9H2,1-4H3,(H,16,17).
What are the key properties of 5-tert-butyl-N-(5-chloropentan-2-yl)pyridin-2-amine?
5-tert-butyl-N-(5-chloropentan-2-yl)pyridin-2-amine has a molecular weight of 254.80 g/mol, XLogP of 4.20, 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-(5-chloropentan-2-yl)pyridin-2-amine is sourced from PubChem (CID 107875581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).