2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide

C14H24N4 — CID 61377512

IUPAC2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1N(CC(C)C)CC(C)C
InChIInChI=1S/C14H24N4/c1-10(2)8-18(9-11(3)4)14-12(13(15)16)6-5-7-17-14/h5-7,10-11H,8-9H2,1-4H3,(H3,15,16)
InChIKeyPMSAJKFMIJUKNY-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.48
Rot. Bonds6

About 2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide

2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide (PubChem CID 61377512) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide
PubChem CID61377512
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1N(CC(C)C)CC(C)C
InChIInChI=1S/C14H24N4/c1-10(2)8-18(9-11(3)4)14-12(13(15)16)6-5-7-17-14/h5-7,10-11H,8-9H2,1-4H3,(H3,15,16)
InChIKeyPMSAJKFMIJUKNY-UHFFFAOYSA-N
XLogP2.48
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.48
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

2-[ethyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 43265878
2-(dibenzylamino)pyridine-3-carboximidamide
CID 130157138
2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboximidamide
CID 55227687
3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide
CID 107060104
2-[ethyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 43273948
2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 54985985
2-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carboximidamide
CID 55004075
2-(propan-2-ylamino)pyridine-3-carboximidamide
CID 22416553
2-[ethyl(naphthalen-1-yl)amino]pyridine-3-carboximidamide
CID 43823181
2-[methyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 43272299
3-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboximidamide
CID 62684039
4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide
CID 55152073

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide?
The IUPAC name of 2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide (CID 61377512) is 2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide.
What is the SMILES notation for 2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide?
The canonical SMILES for 2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide is [H]/N=C(\N)c1cccnc1N(CC(C)C)CC(C)C.
What is the InChIKey of 2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide?
The InChIKey is PMSAJKFMIJUKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-10(2)8-18(9-11(3)4)14-12(13(15)16)6-5-7-17-14/h5-7,10-11H,8-9H2,1-4H3,(H3,15,16).
What are the key properties of 2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide?
2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide has a molecular weight of 248.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide is sourced from PubChem (CID 61377512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).