1-(2,3-dimethyl-2H-pyridin-6-yl)-4,7-dimethyloct-7-en-1-amine

C17H28N2 — CID 130217573

IUPAC1-(2,3-dimethyl-2H-pyridin-6-yl)-4,7-dimethyloct-7-en-1-amine
SMILESC=C(C)CCC(C)CCC(N)C1=NC(C)C(C)=C=C1
InChIInChI=1S/C17H28N2/c1-12(2)6-7-13(3)8-10-16(18)17-11-9-14(4)15(5)19-17/h11,13,15-16H,1,6-8,10,18H2,2-5H3
InChIKeySRINHBUDHBUMBA-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.03
Rot. Bonds7

About 1-(2,3-dimethyl-2H-pyridin-6-yl)-4,7-dimethyloct-7-en-1-amine

1-(2,3-dimethyl-2H-pyridin-6-yl)-4,7-dimethyloct-7-en-1-amine (PubChem CID 130217573) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(2,3-dimethyl-2H-pyridin-6-yl)-4,7-dimethyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethyl-2H-pyridin-6-yl)-4,7-dimethyloct-7-en-1-amine
PubChem CID130217573
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(2,3-dimethyl-2H-pyridin-6-yl)-4,7-dimethyloct-7-en-1-amine
SMILESC=C(C)CCC(C)CCC(N)C1=NC(C)C(C)=C=C1
InChIInChI=1S/C17H28N2/c1-12(2)6-7-13(3)8-10-16(18)17-11-9-14(4)15(5)19-17/h11,13,15-16H,1,6-8,10,18H2,2-5H3
InChIKeySRINHBUDHBUMBA-UHFFFAOYSA-N
XLogP4.03
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-2H-pyridin-6-yl)-4,7-dimethyloct-7-en-1-amine?
The IUPAC name of 1-(2,3-dimethyl-2H-pyridin-6-yl)-4,7-dimethyloct-7-en-1-amine (CID 130217573) is 1-(2,3-dimethyl-2H-pyridin-6-yl)-4,7-dimethyloct-7-en-1-amine.
What is the SMILES notation for 1-(2,3-dimethyl-2H-pyridin-6-yl)-4,7-dimethyloct-7-en-1-amine?
The canonical SMILES for 1-(2,3-dimethyl-2H-pyridin-6-yl)-4,7-dimethyloct-7-en-1-amine is C=C(C)CCC(C)CCC(N)C1=NC(C)C(C)=C=C1.
What is the InChIKey of 1-(2,3-dimethyl-2H-pyridin-6-yl)-4,7-dimethyloct-7-en-1-amine?
The InChIKey is SRINHBUDHBUMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12(2)6-7-13(3)8-10-16(18)17-11-9-14(4)15(5)19-17/h11,13,15-16H,1,6-8,10,18H2,2-5H3.
What are the key properties of 1-(2,3-dimethyl-2H-pyridin-6-yl)-4,7-dimethyloct-7-en-1-amine?
1-(2,3-dimethyl-2H-pyridin-6-yl)-4,7-dimethyloct-7-en-1-amine has a molecular weight of 260.43 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-2H-pyridin-6-yl)-4,7-dimethyloct-7-en-1-amine is sourced from PubChem (CID 130217573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).