3-(3-chloro-2-pyridinyl)-N,4-dimethylpentan-2-amine

C12H19ClN2 — CID 63198063

IUPAC3-(3-chloro-2-pyridinyl)-N,4-dimethylpentan-2-amine
SMILESCNC(C)C(c1ncccc1Cl)C(C)C
InChIInChI=1S/C12H19ClN2/c1-8(2)11(9(3)14-4)12-10(13)6-5-7-15-12/h5-9,11,14H,1-4H3
InChIKeyDSPKIADOCPSNPK-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.08
Rot. Bonds4

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

3-(3-chloro-2-pyridinyl)-N,4-dimethylpentan-2-amine (PubChem CID 63198063) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 3-(3-chloro-2-pyridinyl)-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name3-(3-chloro-2-pyridinyl)-N,4-dimethylpentan-2-amine
PubChem CID63198063
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name3-(3-chloro-2-pyridinyl)-N,4-dimethylpentan-2-amine
SMILESCNC(C)C(c1ncccc1Cl)C(C)C
InChIInChI=1S/C12H19ClN2/c1-8(2)11(9(3)14-4)12-10(13)6-5-7-15-12/h5-9,11,14H,1-4H3
InChIKeyDSPKIADOCPSNPK-UHFFFAOYSA-N
XLogP3.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-pyridinyl)-N,4-dimethylpentan-2-amine?
The IUPAC name of 3-(3-chloro-2-pyridinyl)-N,4-dimethylpentan-2-amine (CID 63198063) is 3-(3-chloro-2-pyridinyl)-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 3-(3-chloro-2-pyridinyl)-N,4-dimethylpentan-2-amine?
The canonical SMILES for 3-(3-chloro-2-pyridinyl)-N,4-dimethylpentan-2-amine is CNC(C)C(c1ncccc1Cl)C(C)C.
What is the InChIKey of 3-(3-chloro-2-pyridinyl)-N,4-dimethylpentan-2-amine?
The InChIKey is DSPKIADOCPSNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-8(2)11(9(3)14-4)12-10(13)6-5-7-15-12/h5-9,11,14H,1-4H3.
What are the key properties of 3-(3-chloro-2-pyridinyl)-N,4-dimethylpentan-2-amine?
3-(3-chloro-2-pyridinyl)-N,4-dimethylpentan-2-amine has a molecular weight of 226.75 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-pyridinyl)-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 63198063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).