3-(3-methylbutylamino)benzenecarboximidamide

C12H19N3 — CID 70080138

IUPAC3-(3-methylbutylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(NCCC(C)C)c1
InChIInChI=1S/C12H19N3/c1-9(2)6-7-15-11-5-3-4-10(8-11)12(13)14/h3-5,8-9,15H,6-7H2,1-2H3,(H3,13,14)
InChIKeyLCFHNYJJBFQYHK-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.43
Rot. Bonds5

About 3-(3-methylbutylamino)benzenecarboximidamide

3-(3-methylbutylamino)benzenecarboximidamide (PubChem CID 70080138) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 3-(3-methylbutylamino)benzenecarboximidamide.

Molecular Properties

Compound Name3-(3-methylbutylamino)benzenecarboximidamide
PubChem CID70080138
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name3-(3-methylbutylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(NCCC(C)C)c1
InChIInChI=1S/C12H19N3/c1-9(2)6-7-15-11-5-3-4-10(8-11)12(13)14/h3-5,8-9,15H,6-7H2,1-2H3,(H3,13,14)
InChIKeyLCFHNYJJBFQYHK-UHFFFAOYSA-N
XLogP2.43
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.43
H-Bond Donors ≤ 53
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

3-[[(2S)-4-methylpentan-2-yl]amino]benzenecarboximidamide
CID 70078867
3-[[(2S)-hexan-2-yl]amino]benzenecarboximidamide
CID 70081161
3-N-(2-aminoethyl)-1-N-(3-methylbutyl)benzene-1,3-diamine
CID 170004129
[3-(3-methylbutylamino)phenyl]urea
CID 43744542
(2S)-2-(3-carbamimidoylanilino)pentanedioic acid
CID 151710941
3-butan-2-ylbenzenecarboximidamide
CID 129164232
3-(2-methylanilino)benzenecarboximidamide
CID 173292322
hydrazine;3-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide
CID 142938542
2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide
CID 43725728
3-(3-hydroxybutylamino)benzoic acid
CID 102823082
1-[3-[(4-amino-3-methylbutyl)amino]phenyl]ethanone
CID 112509851
3-(2-propan-2-ylsulfonylethylamino)benzamide
CID 114003703

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutylamino)benzenecarboximidamide?
The IUPAC name of 3-(3-methylbutylamino)benzenecarboximidamide (CID 70080138) is 3-(3-methylbutylamino)benzenecarboximidamide.
What is the SMILES notation for 3-(3-methylbutylamino)benzenecarboximidamide?
The canonical SMILES for 3-(3-methylbutylamino)benzenecarboximidamide is [H]/N=C(\N)c1cccc(NCCC(C)C)c1.
What is the InChIKey of 3-(3-methylbutylamino)benzenecarboximidamide?
The InChIKey is LCFHNYJJBFQYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9(2)6-7-15-11-5-3-4-10(8-11)12(13)14/h3-5,8-9,15H,6-7H2,1-2H3,(H3,13,14).
What are the key properties of 3-(3-methylbutylamino)benzenecarboximidamide?
3-(3-methylbutylamino)benzenecarboximidamide has a molecular weight of 205.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutylamino)benzenecarboximidamide is sourced from PubChem (CID 70080138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).