2-[cyclopropylmethyl(methyl)amino]-6-methylpyridine-4-carboximidamide

C12H18N4 — CID 114768906

IUPAC2-[cyclopropylmethyl(methyl)amino]-6-methylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(C)CC2CC2)c1
InChIInChI=1S/C12H18N4/c1-8-5-10(12(13)14)6-11(15-8)16(2)7-9-3-4-9/h5-6,9H,3-4,7H2,1-2H3,(H3,13,14)
InChIKeySPNCFNKHVJUDBO-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.52
Rot. Bonds4

About 2-[cyclopropylmethyl(methyl)amino]-6-methylpyridine-4-carboximidamide

2-[cyclopropylmethyl(methyl)amino]-6-methylpyridine-4-carboximidamide (PubChem CID 114768906) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(methyl)amino]-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[cyclopropylmethyl(methyl)amino]-6-methylpyridine-4-carboximidamide
PubChem CID114768906
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-[cyclopropylmethyl(methyl)amino]-6-methylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(C)CC2CC2)c1
InChIInChI=1S/C12H18N4/c1-8-5-10(12(13)14)6-11(15-8)16(2)7-9-3-4-9/h5-6,9H,3-4,7H2,1-2H3,(H3,13,14)
InChIKeySPNCFNKHVJUDBO-UHFFFAOYSA-N
XLogP1.52
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.52
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(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768868
2-methyl-6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-4-carboximidamide
CID 114768863
2-methyl-6-[methyl(propan-2-yl)amino]pyridine-4-carboximidamide
CID 114768847
2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide
CID 102863039
6-[cyclopropylmethyl(methyl)amino]pyridine-3-carboximidamide
CID 60985659
2-(dipropylamino)-6-methylpyridine-4-carboximidamide
CID 114768837
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methylpyridine-4-carboximidamide
CID 114769147
2-methyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 114768881
2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyridine-4-carboximidamide
CID 114769116
2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550536
4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
CID 60983822
3-chloro-4-[cyclopropylmethyl(methyl)amino]benzenecarboximidamide
CID 63088227

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-6-methylpyridine-4-carboximidamide?
The IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-6-methylpyridine-4-carboximidamide (CID 114768906) is 2-[cyclopropylmethyl(methyl)amino]-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for 2-[cyclopropylmethyl(methyl)amino]-6-methylpyridine-4-carboximidamide?
The canonical SMILES for 2-[cyclopropylmethyl(methyl)amino]-6-methylpyridine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(N(C)CC2CC2)c1.
What is the InChIKey of 2-[cyclopropylmethyl(methyl)amino]-6-methylpyridine-4-carboximidamide?
The InChIKey is SPNCFNKHVJUDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-8-5-10(12(13)14)6-11(15-8)16(2)7-9-3-4-9/h5-6,9H,3-4,7H2,1-2H3,(H3,13,14).
What are the key properties of 2-[cyclopropylmethyl(methyl)amino]-6-methylpyridine-4-carboximidamide?
2-[cyclopropylmethyl(methyl)amino]-6-methylpyridine-4-carboximidamide has a molecular weight of 218.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(methyl)amino]-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 114768906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).