3-(3-amino-4-methylpentyl)-4-methylpyridin-2-amine

C12H21N3 — CID 64505107

IUPAC3-(3-amino-4-methylpentyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1CCC(N)C(C)C
InChIInChI=1S/C12H21N3/c1-8(2)11(13)5-4-10-9(3)6-7-15-12(10)14/h6-8,11H,4-5,13H2,1-3H3,(H2,14,15)
InChIKeyMBUOPQBOMDUQOO-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.89
Rot. Bonds4

About 3-(3-amino-4-methylpentyl)-4-methylpyridin-2-amine

3-(3-amino-4-methylpentyl)-4-methylpyridin-2-amine (PubChem CID 64505107) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(3-amino-4-methylpentyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(3-amino-4-methylpentyl)-4-methylpyridin-2-amine
PubChem CID64505107
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-(3-amino-4-methylpentyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1CCC(N)C(C)C
InChIInChI=1S/C12H21N3/c1-8(2)11(13)5-4-10-9(3)6-7-15-12(10)14/h6-8,11H,4-5,13H2,1-3H3,(H2,14,15)
InChIKeyMBUOPQBOMDUQOO-UHFFFAOYSA-N
XLogP1.89
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-methylpentyl)-4-methylpyridin-2-amine?
The IUPAC name of 3-(3-amino-4-methylpentyl)-4-methylpyridin-2-amine (CID 64505107) is 3-(3-amino-4-methylpentyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 3-(3-amino-4-methylpentyl)-4-methylpyridin-2-amine?
The canonical SMILES for 3-(3-amino-4-methylpentyl)-4-methylpyridin-2-amine is Cc1ccnc(N)c1CCC(N)C(C)C.
What is the InChIKey of 3-(3-amino-4-methylpentyl)-4-methylpyridin-2-amine?
The InChIKey is MBUOPQBOMDUQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-8(2)11(13)5-4-10-9(3)6-7-15-12(10)14/h6-8,11H,4-5,13H2,1-3H3,(H2,14,15).
What are the key properties of 3-(3-amino-4-methylpentyl)-4-methylpyridin-2-amine?
3-(3-amino-4-methylpentyl)-4-methylpyridin-2-amine has a molecular weight of 207.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-methylpentyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 64505107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).