1-(3-chloro-4-pyridinyl)-N,2,2-trimethylpropan-1-amine

C11H17ClN2 — CID 105146074

IUPAC1-(3-chloro-4-pyridinyl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1ccncc1Cl)C(C)(C)C
InChIInChI=1S/C11H17ClN2/c1-11(2,3)10(13-4)8-5-6-14-7-9(8)12/h5-7,10,13H,1-4H3
InChIKeyIVEWLYYYXURWOP-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.04
Rot. Bonds2

About 1-(3-chloro-4-pyridinyl)-N,2,2-trimethylpropan-1-amine

1-(3-chloro-4-pyridinyl)-N,2,2-trimethylpropan-1-amine (PubChem CID 105146074) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-N,2,2-trimethylpropan-1-amine
PubChem CID105146074
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name1-(3-chloro-4-pyridinyl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1ccncc1Cl)C(C)(C)C
InChIInChI=1S/C11H17ClN2/c1-11(2,3)10(13-4)8-5-6-14-7-9(8)12/h5-7,10,13H,1-4H3
InChIKeyIVEWLYYYXURWOP-UHFFFAOYSA-N
XLogP3.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,2-trimethyl-1-(4-methyl-3-pyridinyl)propan-1-amine
CID 66271629
1-(3-chloro-4-pyridinyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 105146058
1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine
CID 105140506
1-(3-chloro-4-pyridinyl)-N,2-dimethylprop-2-en-1-amine
CID 105163768
1-(3-chloro-4-pyridinyl)-N,4-dimethylpentan-1-amine
CID 105127189
1-(3-chloro-4-pyridinyl)ethanol
CID 67428643
(1S)-1-(3-chloro-4-pyridinyl)ethanol
CID 59186881
1-(3-chloro-4-pyridinyl)-N-methylpentan-1-amine
CID 105125649
1-(3-chloro-4-pyridinyl)-N,3-dimethylpentan-1-amine
CID 105138462
1-(3-chloro-4-pyridinyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 105093667
1-(3-chloro-4-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 105145337
2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 105096581

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-N,2,2-trimethylpropan-1-amine (CID 105146074) is 1-(3-chloro-4-pyridinyl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-N,2,2-trimethylpropan-1-amine is CNC(c1ccncc1Cl)C(C)(C)C.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is IVEWLYYYXURWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-11(2,3)10(13-4)8-5-6-14-7-9(8)12/h5-7,10,13H,1-4H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-N,2,2-trimethylpropan-1-amine?
1-(3-chloro-4-pyridinyl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 212.72 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 105146074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).