2-[ethyl(2-ethylbutyl)amino]-4-methylbenzenecarboximidamide

C16H27N3 — CID 62308130

IUPAC2-[ethyl(2-ethylbutyl)amino]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N(CC)CC(CC)CC
InChIInChI=1S/C16H27N3/c1-5-13(6-2)11-19(7-3)15-10-12(4)8-9-14(15)16(17)18/h8-10,13H,5-7,11H2,1-4H3,(H3,17,18)
InChIKeyGBFCMKMIWXVPGI-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.54
Rot. Bonds7

About 2-[ethyl(2-ethylbutyl)amino]-4-methylbenzenecarboximidamide

2-[ethyl(2-ethylbutyl)amino]-4-methylbenzenecarboximidamide (PubChem CID 62308130) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[ethyl(2-ethylbutyl)amino]-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[ethyl(2-ethylbutyl)amino]-4-methylbenzenecarboximidamide
PubChem CID62308130
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-[ethyl(2-ethylbutyl)amino]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N(CC)CC(CC)CC
InChIInChI=1S/C16H27N3/c1-5-13(6-2)11-19(7-3)15-10-12(4)8-9-14(15)16(17)18/h8-10,13H,5-7,11H2,1-4H3,(H3,17,18)
InChIKeyGBFCMKMIWXVPGI-UHFFFAOYSA-N
XLogP3.54
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.54
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

2-[bis(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide
CID 62308815
2-[ethyl(2-ethylbutyl)amino]-5-methylbenzenecarbothioamide
CID 107928650
2-[1-hydroxypropan-2-yl(methyl)amino]-4-methylbenzenecarboximidamide
CID 104552211
4-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide
CID 62308122
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-methylaniline
CID 114016626
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-methylbenzenecarboximidamide
CID 55056725
2-[benzyl(propan-2-yl)amino]-4-methylbenzenecarboximidamide
CID 62307762
2-[ethyl(2-ethylbutyl)amino]benzenecarbothioamide
CID 61437567
2-(bromomethyl)-N-ethyl-N-(2-ethylbutyl)-4-methylaniline
CID 114054619
4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide
CID 62306905
2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938914
4-[[ethyl(2-ethylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106790693

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-ethylbutyl)amino]-4-methylbenzenecarboximidamide?
The IUPAC name of 2-[ethyl(2-ethylbutyl)amino]-4-methylbenzenecarboximidamide (CID 62308130) is 2-[ethyl(2-ethylbutyl)amino]-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[ethyl(2-ethylbutyl)amino]-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-[ethyl(2-ethylbutyl)amino]-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1N(CC)CC(CC)CC.
What is the InChIKey of 2-[ethyl(2-ethylbutyl)amino]-4-methylbenzenecarboximidamide?
The InChIKey is GBFCMKMIWXVPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-5-13(6-2)11-19(7-3)15-10-12(4)8-9-14(15)16(17)18/h8-10,13H,5-7,11H2,1-4H3,(H3,17,18).
What are the key properties of 2-[ethyl(2-ethylbutyl)amino]-4-methylbenzenecarboximidamide?
2-[ethyl(2-ethylbutyl)amino]-4-methylbenzenecarboximidamide has a molecular weight of 261.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-ethylbutyl)amino]-4-methylbenzenecarboximidamide is sourced from PubChem (CID 62308130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).