2-methyl-N-(3-methylhex-5-en-2-yl)pyridin-3-amine

C13H20N2 — CID 115922121

IUPAC2-methyl-N-(3-methylhex-5-en-2-yl)pyridin-3-amine
SMILESC=CCC(C)C(C)Nc1cccnc1C
InChIInChI=1S/C13H20N2/c1-5-7-10(2)11(3)15-13-8-6-9-14-12(13)4/h5-6,8-11,15H,1,7H2,2-4H3
InChIKeyNUBHNBLKCZVCRW-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.40
Rot. Bonds5

About 2-methyl-N-(3-methylhex-5-en-2-yl)pyridin-3-amine

2-methyl-N-(3-methylhex-5-en-2-yl)pyridin-3-amine (PubChem CID 115922121) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-methyl-N-(3-methylhex-5-en-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methylhex-5-en-2-yl)pyridin-3-amine
PubChem CID115922121
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-methyl-N-(3-methylhex-5-en-2-yl)pyridin-3-amine
SMILESC=CCC(C)C(C)Nc1cccnc1C
InChIInChI=1S/C13H20N2/c1-5-7-10(2)11(3)15-13-8-6-9-14-12(13)4/h5-6,8-11,15H,1,7H2,2-4H3
InChIKeyNUBHNBLKCZVCRW-UHFFFAOYSA-N
XLogP3.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.40
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 2-methyl-N-(3-methylhex-5-en-2-yl)pyridin-3-amine?
The IUPAC name of 2-methyl-N-(3-methylhex-5-en-2-yl)pyridin-3-amine (CID 115922121) is 2-methyl-N-(3-methylhex-5-en-2-yl)pyridin-3-amine.
What is the SMILES notation for 2-methyl-N-(3-methylhex-5-en-2-yl)pyridin-3-amine?
The canonical SMILES for 2-methyl-N-(3-methylhex-5-en-2-yl)pyridin-3-amine is C=CCC(C)C(C)Nc1cccnc1C.
What is the InChIKey of 2-methyl-N-(3-methylhex-5-en-2-yl)pyridin-3-amine?
The InChIKey is NUBHNBLKCZVCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-7-10(2)11(3)15-13-8-6-9-14-12(13)4/h5-6,8-11,15H,1,7H2,2-4H3.
What are the key properties of 2-methyl-N-(3-methylhex-5-en-2-yl)pyridin-3-amine?
2-methyl-N-(3-methylhex-5-en-2-yl)pyridin-3-amine has a molecular weight of 204.32 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylhex-5-en-2-yl)pyridin-3-amine is sourced from PubChem (CID 115922121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).