3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]benzenecarboximidamide

C17H25N3 — CID 63682795

IUPAC3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN(C)CC2CC3CCC2C3)c1
InChIInChI=1S/C17H25N3/c1-20(11-16-8-12-5-6-14(16)7-12)10-13-3-2-4-15(9-13)17(18)19/h2-4,9,12,14,16H,5-8,10-11H2,1H3,(H3,18,19)
InChIKeyGIKNRUNPSKNTFT-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.84
Rot. Bonds5

About 3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]benzenecarboximidamide

3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]benzenecarboximidamide (PubChem CID 63682795) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]benzenecarboximidamide
PubChem CID63682795
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN(C)CC2CC3CCC2C3)c1
InChIInChI=1S/C17H25N3/c1-20(11-16-8-12-5-6-14(16)7-12)10-13-3-2-4-15(9-13)17(18)19/h2-4,9,12,14,16H,5-8,10-11H2,1H3,(H3,18,19)
InChIKeyGIKNRUNPSKNTFT-UHFFFAOYSA-N
XLogP2.84
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzenecarboximidamide
CID 63236274
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
CID 63681580
3-[[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 66419318
3-[[methyl(pentyl)amino]methyl]benzenecarboximidamide
CID 43294977
3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide
CID 63207200
3-[[(3,5-difluorophenyl)methyl-methylamino]methyl]benzenecarboximidamide
CID 105403802
4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]pyridine-2-carbothioamide
CID 63881324
3-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzenecarboximidamide
CID 102632464
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
CID 63888471
3-[[2-ethylbutyl(methyl)amino]methyl]benzenecarboximidamide
CID 82926171
3-[[(2,6-difluorophenyl)methyl-methylamino]methyl]benzenecarboximidamide
CID 114930355
4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2,6-dimethylphenol
CID 82981135

Frequently Asked Questions

What is the IUPAC name of 3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]benzenecarboximidamide (CID 63682795) is 3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(CN(C)CC2CC3CCC2C3)c1.
What is the InChIKey of 3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]benzenecarboximidamide?
The InChIKey is GIKNRUNPSKNTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-20(11-16-8-12-5-6-14(16)7-12)10-13-3-2-4-15(9-13)17(18)19/h2-4,9,12,14,16H,5-8,10-11H2,1H3,(H3,18,19).
What are the key properties of 3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]benzenecarboximidamide?
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]benzenecarboximidamide has a molecular weight of 271.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 63682795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).