6-chloro-4-(2-methylpentan-2-yl)-N,N-dipropylpyridin-2-amine

C17H29ClN2 — CID 88970844

IUPAC6-chloro-4-(2-methylpentan-2-yl)-N,N-dipropylpyridin-2-amine
SMILESCCCN(CCC)c1cc(C(C)(C)CCC)cc(Cl)n1
InChIInChI=1S/C17H29ClN2/c1-6-9-17(4,5)14-12-15(18)19-16(13-14)20(10-7-2)11-8-3/h12-13H,6-11H2,1-5H3
InChIKeyCCXXQYMIEXPMRN-UHFFFAOYSA-N
MW296.89 g/mol
LogP5.44
Rot. Bonds8

About 6-chloro-4-(2-methylpentan-2-yl)-N,N-dipropylpyridin-2-amine

6-chloro-4-(2-methylpentan-2-yl)-N,N-dipropylpyridin-2-amine (PubChem CID 88970844) has the molecular formula C17H29ClN2 and a molecular weight of 296.89 g/mol. Its IUPAC name is 6-chloro-4-(2-methylpentan-2-yl)-N,N-dipropylpyridin-2-amine.

Molecular Properties

Compound Name6-chloro-4-(2-methylpentan-2-yl)-N,N-dipropylpyridin-2-amine
PubChem CID88970844
Molecular FormulaC17H29ClN2
Molecular Weight296.89 g/mol
Exact Mass296.20
IUPAC Name6-chloro-4-(2-methylpentan-2-yl)-N,N-dipropylpyridin-2-amine
SMILESCCCN(CCC)c1cc(C(C)(C)CCC)cc(Cl)n1
InChIInChI=1S/C17H29ClN2/c1-6-9-17(4,5)14-12-15(18)19-16(13-14)20(10-7-2)11-8-3/h12-13H,6-11H2,1-5H3
InChIKeyCCXXQYMIEXPMRN-UHFFFAOYSA-N
XLogP5.44
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.89
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-methylpentan-2-yl)-N,N-dipropylpyridin-2-amine?
The IUPAC name of 6-chloro-4-(2-methylpentan-2-yl)-N,N-dipropylpyridin-2-amine (CID 88970844) is 6-chloro-4-(2-methylpentan-2-yl)-N,N-dipropylpyridin-2-amine.
What is the SMILES notation for 6-chloro-4-(2-methylpentan-2-yl)-N,N-dipropylpyridin-2-amine?
The canonical SMILES for 6-chloro-4-(2-methylpentan-2-yl)-N,N-dipropylpyridin-2-amine is CCCN(CCC)c1cc(C(C)(C)CCC)cc(Cl)n1.
What is the InChIKey of 6-chloro-4-(2-methylpentan-2-yl)-N,N-dipropylpyridin-2-amine?
The InChIKey is CCXXQYMIEXPMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN2/c1-6-9-17(4,5)14-12-15(18)19-16(13-14)20(10-7-2)11-8-3/h12-13H,6-11H2,1-5H3.
What are the key properties of 6-chloro-4-(2-methylpentan-2-yl)-N,N-dipropylpyridin-2-amine?
6-chloro-4-(2-methylpentan-2-yl)-N,N-dipropylpyridin-2-amine has a molecular weight of 296.89 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-methylpentan-2-yl)-N,N-dipropylpyridin-2-amine is sourced from PubChem (CID 88970844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).