4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide

C13H21N3 — CID 43273777

IUPAC4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CC)CC(C)C)cc1
InChIInChI=1S/C13H21N3/c1-4-16(9-10(2)3)12-7-5-11(6-8-12)13(14)15/h5-8,10H,4,9H2,1-3H3,(H3,14,15)
InChIKeyQECRDEMYXSPFGM-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.45
Rot. Bonds5

About 4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide

4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide (PubChem CID 43273777) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide
PubChem CID43273777
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CC)CC(C)C)cc1
InChIInChI=1S/C13H21N3/c1-4-16(9-10(2)3)12-7-5-11(6-8-12)13(14)15/h5-8,10H,4,9H2,1-3H3,(H3,14,15)
InChIKeyQECRDEMYXSPFGM-UHFFFAOYSA-N
XLogP2.45
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.45
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-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 55000060
4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide
CID 60980240
4-[[methyl(2-methylpropyl)amino]diazenyl]benzenecarboximidamide;hydrochloride
CID 6431834
4-[[bis(2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 61377517
1-[4-[ethyl(2-methylpropyl)amino]phenyl]propan-1-ol
CID 114066768
4-(3-methylbutyl)benzenecarboximidamide
CID 137472926
2-[ethyl(2-methylpropyl)amino]-6-methylsulfanylbenzenecarboximidamide
CID 113385837
4-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide
CID 61441154
4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide
CID 55152073
4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide
CID 103189217
4-[2-[bis(2-methylpropyl)amino]ethoxy]benzenecarboximidamide
CID 61377522
3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide
CID 107060104

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide?
The IUPAC name of 4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide (CID 43273777) is 4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide.
What is the SMILES notation for 4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide?
The canonical SMILES for 4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(CC)CC(C)C)cc1.
What is the InChIKey of 4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide?
The InChIKey is QECRDEMYXSPFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-4-16(9-10(2)3)12-7-5-11(6-8-12)13(14)15/h5-8,10H,4,9H2,1-3H3,(H3,14,15).
What are the key properties of 4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide?
4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide has a molecular weight of 219.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide is sourced from PubChem (CID 43273777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).