4-methyl-3-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine

C12H21N3 — CID 106357572

IUPAC4-methyl-3-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine
SMILESCc1cccc(NC(CCN)C(C)C)n1
InChIInChI=1S/C12H21N3/c1-9(2)11(7-8-13)15-12-6-4-5-10(3)14-12/h4-6,9,11H,7-8,13H2,1-3H3,(H,14,15)
InChIKeyHPBCBXMTGOWIOT-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.18
Rot. Bonds5

About 4-methyl-3-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine

4-methyl-3-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine (PubChem CID 106357572) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-methyl-3-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine.

Molecular Properties

Compound Name4-methyl-3-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine
PubChem CID106357572
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-methyl-3-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine
SMILESCc1cccc(NC(CCN)C(C)C)n1
InChIInChI=1S/C12H21N3/c1-9(2)11(7-8-13)15-12-6-4-5-10(3)14-12/h4-6,9,11H,7-8,13H2,1-3H3,(H,14,15)
InChIKeyHPBCBXMTGOWIOT-UHFFFAOYSA-N
XLogP2.18
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine?
The IUPAC name of 4-methyl-3-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine (CID 106357572) is 4-methyl-3-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine.
What is the SMILES notation for 4-methyl-3-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine?
The canonical SMILES for 4-methyl-3-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine is Cc1cccc(NC(CCN)C(C)C)n1.
What is the InChIKey of 4-methyl-3-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine?
The InChIKey is HPBCBXMTGOWIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)11(7-8-13)15-12-6-4-5-10(3)14-12/h4-6,9,11H,7-8,13H2,1-3H3,(H,14,15).
What are the key properties of 4-methyl-3-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine?
4-methyl-3-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine has a molecular weight of 207.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine is sourced from PubChem (CID 106357572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).