6-[cyclopropylmethyl(methyl)amino]pyridine-3-carboximidamide

C11H16N4 — CID 60985659

IUPAC6-[cyclopropylmethyl(methyl)amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CC2CC2)nc1
InChIInChI=1S/C11H16N4/c1-15(7-8-2-3-8)10-5-4-9(6-14-10)11(12)13/h4-6,8H,2-3,7H2,1H3,(H3,12,13)
InChIKeyFOPDFCNSEGDNHA-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.21
Rot. Bonds4

About 6-[cyclopropylmethyl(methyl)amino]pyridine-3-carboximidamide

6-[cyclopropylmethyl(methyl)amino]pyridine-3-carboximidamide (PubChem CID 60985659) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 6-[cyclopropylmethyl(methyl)amino]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[cyclopropylmethyl(methyl)amino]pyridine-3-carboximidamide
PubChem CID60985659
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name6-[cyclopropylmethyl(methyl)amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CC2CC2)nc1
InChIInChI=1S/C11H16N4/c1-15(7-8-2-3-8)10-5-4-9(6-14-10)11(12)13/h4-6,8H,2-3,7H2,1H3,(H3,12,13)
InChIKeyFOPDFCNSEGDNHA-UHFFFAOYSA-N
XLogP1.21
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.21
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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Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropylmethyl(methyl)amino]pyridine-3-carboximidamide?
The IUPAC name of 6-[cyclopropylmethyl(methyl)amino]pyridine-3-carboximidamide (CID 60985659) is 6-[cyclopropylmethyl(methyl)amino]pyridine-3-carboximidamide.
What is the SMILES notation for 6-[cyclopropylmethyl(methyl)amino]pyridine-3-carboximidamide?
The canonical SMILES for 6-[cyclopropylmethyl(methyl)amino]pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(N(C)CC2CC2)nc1.
What is the InChIKey of 6-[cyclopropylmethyl(methyl)amino]pyridine-3-carboximidamide?
The InChIKey is FOPDFCNSEGDNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-15(7-8-2-3-8)10-5-4-9(6-14-10)11(12)13/h4-6,8H,2-3,7H2,1H3,(H3,12,13).
What are the key properties of 6-[cyclopropylmethyl(methyl)amino]pyridine-3-carboximidamide?
6-[cyclopropylmethyl(methyl)amino]pyridine-3-carboximidamide has a molecular weight of 204.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropylmethyl(methyl)amino]pyridine-3-carboximidamide is sourced from PubChem (CID 60985659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).