4-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide

C14H23N3 — CID 55000060

IUPAC4-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CC(C)C)C(C)C)cc1
InChIInChI=1S/C14H23N3/c1-10(2)9-17(11(3)4)13-7-5-12(6-8-13)14(15)16/h5-8,10-11H,9H2,1-4H3,(H3,15,16)
InChIKeyWKPKJOBTXAKOCV-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.84
Rot. Bonds5

About 4-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide

4-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide (PubChem CID 55000060) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
PubChem CID55000060
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CC(C)C)C(C)C)cc1
InChIInChI=1S/C14H23N3/c1-10(2)9-17(11(3)4)13-7-5-12(6-8-13)14(15)16/h5-8,10-11H,9H2,1-4H3,(H3,15,16)
InChIKeyWKPKJOBTXAKOCV-UHFFFAOYSA-N
XLogP2.84
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
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

4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide
CID 43273777
4-[[bis(2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 61377517
4-(3-methylbutyl)benzenecarboximidamide
CID 137472926
4-[[methyl(2-methylpropyl)amino]diazenyl]benzenecarboximidamide;hydrochloride
CID 6431834
4-[2-[bis(2-methylpropyl)amino]ethoxy]benzenecarboximidamide
CID 61377522
3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 107110148
4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide
CID 122182388
5-[2-methylpropyl(pentan-3-yl)amino]pyridine-2-carboximidamide
CID 115489703
4-(2-aminopropyl)-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63815852
4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide
CID 60980240
4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63693855
4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide
CID 55152073

Frequently Asked Questions

What is the IUPAC name of 4-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide?
The IUPAC name of 4-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide (CID 55000060) is 4-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide.
What is the SMILES notation for 4-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide?
The canonical SMILES for 4-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(CC(C)C)C(C)C)cc1.
What is the InChIKey of 4-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide?
The InChIKey is WKPKJOBTXAKOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-10(2)9-17(11(3)4)13-7-5-12(6-8-13)14(15)16/h5-8,10-11H,9H2,1-4H3,(H3,15,16).
What are the key properties of 4-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide?
4-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide has a molecular weight of 233.36 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 4-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide is sourced from PubChem (CID 55000060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).