3-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]propanimidamide

C13H22N4 — CID 102881400

IUPAC3-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(Cc1cncc(C)c1)C(C)C
InChIInChI=1S/C13H22N4/c1-10(2)17(5-4-13(14)15)9-12-6-11(3)7-16-8-12/h6-8,10H,4-5,9H2,1-3H3,(H3,14,15)
InChIKeyRZPUFIMYWCTFMF-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.93
Rot. Bonds6

About 3-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]propanimidamide

3-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]propanimidamide (PubChem CID 102881400) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 3-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]propanimidamide.

Molecular Properties

Compound Name3-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]propanimidamide
PubChem CID102881400
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name3-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(Cc1cncc(C)c1)C(C)C
InChIInChI=1S/C13H22N4/c1-10(2)17(5-4-13(14)15)9-12-6-11(3)7-16-8-12/h6-8,10H,4-5,9H2,1-3H3,(H3,14,15)
InChIKeyRZPUFIMYWCTFMF-UHFFFAOYSA-N
XLogP1.93
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[(4-chlorophenyl)methyl-propan-2-ylamino]propanimidamide
CID 54996572
3-chloro-N-[(5-methyl-3-pyridinyl)methyl]-N-propan-2-ylpropan-1-amine
CID 102878809
4-[[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]methyl]aniline
CID 102881504
3-[(3-bromo-4-methoxyphenyl)methyl-propan-2-ylamino]propanimidamide
CID 54996722
3-[(5-fluoro-3-pyridinyl)methyl-(2-methylpropyl)amino]propanimidamide
CID 114084421
3-[[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]methyl]aniline
CID 102881505
methyl 2-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]acetate
CID 102794690
3-[(2-chloro-6-fluorophenyl)methyl-propan-2-ylamino]propanimidamide
CID 54996527
3-[(3-bromo-2,6-difluorophenyl)methyl-propan-2-ylamino]propanimidamide
CID 106264204
4-(aminomethyl)-N-[(5-methyl-3-pyridinyl)methyl]-N-propan-2-ylaniline
CID 102880574
2-[2-hydroxyethyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanol
CID 102794628
3-[(5-bromo-4-methyl-2-pyridinyl)-propan-2-ylamino]propanimidamide
CID 114869122

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]propanimidamide?
The IUPAC name of 3-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]propanimidamide (CID 102881400) is 3-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]propanimidamide.
What is the SMILES notation for 3-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]propanimidamide?
The canonical SMILES for 3-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]propanimidamide is [H]/N=C(\N)CCN(Cc1cncc(C)c1)C(C)C.
What is the InChIKey of 3-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]propanimidamide?
The InChIKey is RZPUFIMYWCTFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10(2)17(5-4-13(14)15)9-12-6-11(3)7-16-8-12/h6-8,10H,4-5,9H2,1-3H3,(H3,14,15).
What are the key properties of 3-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]propanimidamide?
3-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]propanimidamide has a molecular weight of 234.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]propanimidamide is sourced from PubChem (CID 102881400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).