3-[[methyl(pentyl)amino]methyl]benzenecarboximidamide

C14H23N3 — CID 43294977

IUPAC3-[[methyl(pentyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN(C)CCCCC)c1
InChIInChI=1S/C14H23N3/c1-3-4-5-9-17(2)11-12-7-6-8-13(10-12)14(15)16/h6-8,10H,3-5,9,11H2,1-2H3,(H3,15,16)
InChIKeyPGHZEFJMGXXPBL-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.59
Rot. Bonds7

About 3-[[methyl(pentyl)amino]methyl]benzenecarboximidamide

3-[[methyl(pentyl)amino]methyl]benzenecarboximidamide (PubChem CID 43294977) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-[[methyl(pentyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[[methyl(pentyl)amino]methyl]benzenecarboximidamide
PubChem CID43294977
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-[[methyl(pentyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN(C)CCCCC)c1
InChIInChI=1S/C14H23N3/c1-3-4-5-9-17(2)11-12-7-6-8-13(10-12)14(15)16/h6-8,10H,3-5,9,11H2,1-2H3,(H3,15,16)
InChIKeyPGHZEFJMGXXPBL-UHFFFAOYSA-N
XLogP2.59
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.59
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-[[pentyl(propan-2-yl)amino]methyl]benzenecarboximidamide
CID 55002214
3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]benzenecarboximidamide
CID 64566293
3-[[2-ethylbutyl(methyl)amino]methyl]benzenecarboximidamide
CID 82926171
3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide
CID 63207200
3-[(N-butylanilino)methyl]benzenecarboximidamide
CID 64585202
3-[[(3,5-difluorophenyl)methyl-methylamino]methyl]benzenecarboximidamide
CID 105403802
3-[[2-tert-butylsulfonylethyl(methyl)amino]methyl]benzenecarboximidamide
CID 106725441
3-[methyl(nonyl)amino]benzenecarboximidamide
CID 63525360
3-[[(2,6-difluorophenyl)methyl-methylamino]methyl]benzenecarboximidamide
CID 114930355
3-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]benzenecarboximidamide
CID 62966526
3-[[butyl(methyl)amino]methyl]benzohydrazide
CID 63569748
3-[[methyl(4-methylpentan-2-yl)amino]methyl]benzenecarboximidamide
CID 54999579

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(pentyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 3-[[methyl(pentyl)amino]methyl]benzenecarboximidamide (CID 43294977) is 3-[[methyl(pentyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 3-[[methyl(pentyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 3-[[methyl(pentyl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(CN(C)CCCCC)c1.
What is the InChIKey of 3-[[methyl(pentyl)amino]methyl]benzenecarboximidamide?
The InChIKey is PGHZEFJMGXXPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-4-5-9-17(2)11-12-7-6-8-13(10-12)14(15)16/h6-8,10H,3-5,9,11H2,1-2H3,(H3,15,16).
What are the key properties of 3-[[methyl(pentyl)amino]methyl]benzenecarboximidamide?
3-[[methyl(pentyl)amino]methyl]benzenecarboximidamide has a molecular weight of 233.36 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(pentyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 43294977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).