N-(4-chloro-2,2-dimethylbutyl)-3-methylpyridin-4-amine

C12H19ClN2 — CID 106141575

IUPACN-(4-chloro-2,2-dimethylbutyl)-3-methylpyridin-4-amine
SMILESCc1cnccc1NCC(C)(C)CCCl
InChIInChI=1S/C12H19ClN2/c1-10-8-14-7-4-11(10)15-9-12(2,3)5-6-13/h4,7-8H,5-6,9H2,1-3H3,(H,14,15)
InChIKeyQQZKJIDGSVJCTP-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.46
Rot. Bonds5

About N-(4-chloro-2,2-dimethylbutyl)-3-methylpyridin-4-amine

N-(4-chloro-2,2-dimethylbutyl)-3-methylpyridin-4-amine (PubChem CID 106141575) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is N-(4-chloro-2,2-dimethylbutyl)-3-methylpyridin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2,2-dimethylbutyl)-3-methylpyridin-4-amine
PubChem CID106141575
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC NameN-(4-chloro-2,2-dimethylbutyl)-3-methylpyridin-4-amine
SMILESCc1cnccc1NCC(C)(C)CCCl
InChIInChI=1S/C12H19ClN2/c1-10-8-14-7-4-11(10)15-9-12(2,3)5-6-13/h4,7-8H,5-6,9H2,1-3H3,(H,14,15)
InChIKeyQQZKJIDGSVJCTP-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.46
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-(2,2-dimethylbutyl)-3-methylpyridin-4-amine
CID 103462384
2,2-dimethyl-3-[(3-methyl-4-pyridinyl)amino]propan-1-ol
CID 115360857
N-(5-chloropentyl)-3-methylpyridin-4-amine
CID 107320518
3-[[(3-methyl-4-pyridinyl)amino]methyl]pentan-3-ol
CID 65110464
N-(2-chloropropyl)-3-methylpyridin-4-amine
CID 65027865
3-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridin-4-amine
CID 104624053
2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid
CID 115430164
3-methyl-N-(2,3,3-trimethylbutyl)pyridin-4-amine
CID 83144536
4-chloro-2,2-dimethyl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 106140076
N-(azetidin-3-ylmethyl)-3-methylpyridin-4-amine
CID 130854740
2-chloro-N-(3-methyl-4-pyridinyl)acetamide
CID 63669851
3-methyl-N-(2-propan-2-yloxyethyl)pyridin-4-amine
CID 104762427

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,2-dimethylbutyl)-3-methylpyridin-4-amine?
The IUPAC name of N-(4-chloro-2,2-dimethylbutyl)-3-methylpyridin-4-amine (CID 106141575) is N-(4-chloro-2,2-dimethylbutyl)-3-methylpyridin-4-amine.
What is the SMILES notation for N-(4-chloro-2,2-dimethylbutyl)-3-methylpyridin-4-amine?
The canonical SMILES for N-(4-chloro-2,2-dimethylbutyl)-3-methylpyridin-4-amine is Cc1cnccc1NCC(C)(C)CCCl.
What is the InChIKey of N-(4-chloro-2,2-dimethylbutyl)-3-methylpyridin-4-amine?
The InChIKey is QQZKJIDGSVJCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-10-8-14-7-4-11(10)15-9-12(2,3)5-6-13/h4,7-8H,5-6,9H2,1-3H3,(H,14,15).
What are the key properties of N-(4-chloro-2,2-dimethylbutyl)-3-methylpyridin-4-amine?
N-(4-chloro-2,2-dimethylbutyl)-3-methylpyridin-4-amine has a molecular weight of 226.75 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,2-dimethylbutyl)-3-methylpyridin-4-amine is sourced from PubChem (CID 106141575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).