3-[methyl(nonyl)amino]benzenecarboximidamide

C17H29N3 — CID 63525360

IUPAC3-[methyl(nonyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)CCCCCCCCC)c1
InChIInChI=1S/C17H29N3/c1-3-4-5-6-7-8-9-13-20(2)16-12-10-11-15(14-16)17(18)19/h10-12,14H,3-9,13H2,1-2H3,(H3,18,19)
InChIKeyOYERGPOUFSYVMZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.16
Rot. Bonds10

About 3-[methyl(nonyl)amino]benzenecarboximidamide

3-[methyl(nonyl)amino]benzenecarboximidamide (PubChem CID 63525360) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-[methyl(nonyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name3-[methyl(nonyl)amino]benzenecarboximidamide
PubChem CID63525360
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name3-[methyl(nonyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)CCCCCCCCC)c1
InChIInChI=1S/C17H29N3/c1-3-4-5-6-7-8-9-13-20(2)16-12-10-11-15(14-16)17(18)19/h10-12,14H,3-9,13H2,1-2H3,(H3,18,19)
InChIKeyOYERGPOUFSYVMZ-UHFFFAOYSA-N
XLogP4.16
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[methyl(propyl)amino]benzenecarboximidamide
CID 62970999
3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide
CID 80696188
3-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 62971177
3-[[methyl(pentyl)amino]methyl]benzenecarboximidamide
CID 43294977
3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]benzenecarboximidamide
CID 62971703
3-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]benzenecarboximidamide
CID 112589680
3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide
CID 62971701
3-[[pentyl(propan-2-yl)amino]methyl]benzenecarboximidamide
CID 55002214
3-[(N-butylanilino)methyl]benzenecarboximidamide
CID 64585202
3-[2-(3-bromophenoxy)ethyl-methylamino]benzenecarboximidamide
CID 62971878
4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide
CID 122182388
3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide
CID 62969953

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(nonyl)amino]benzenecarboximidamide?
The IUPAC name of 3-[methyl(nonyl)amino]benzenecarboximidamide (CID 63525360) is 3-[methyl(nonyl)amino]benzenecarboximidamide.
What is the SMILES notation for 3-[methyl(nonyl)amino]benzenecarboximidamide?
The canonical SMILES for 3-[methyl(nonyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1cccc(N(C)CCCCCCCCC)c1.
What is the InChIKey of 3-[methyl(nonyl)amino]benzenecarboximidamide?
The InChIKey is OYERGPOUFSYVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-4-5-6-7-8-9-13-20(2)16-12-10-11-15(14-16)17(18)19/h10-12,14H,3-9,13H2,1-2H3,(H3,18,19).
What are the key properties of 3-[methyl(nonyl)amino]benzenecarboximidamide?
3-[methyl(nonyl)amino]benzenecarboximidamide has a molecular weight of 275.44 g/mol, XLogP of 4.16, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(nonyl)amino]benzenecarboximidamide is sourced from PubChem (CID 63525360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).