2-[(3-ethylpentan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide

C15H25N3O — CID 77055815

IUPAC2-[(3-ethylpentan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCC(CC)(CC)NCc1ccccc1C(N)=NO
InChIInChI=1S/C15H25N3O/c1-4-15(5-2,6-3)17-11-12-9-7-8-10-13(12)14(16)18-19/h7-10,17,19H,4-6,11H2,1-3H3,(H2,16,18)
InChIKeyFPNQPNBAKBATNI-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.84
Rot. Bonds7

About 2-[(3-ethylpentan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide

2-[(3-ethylpentan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 77055815) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(3-ethylpentan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(3-ethylpentan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID77055815
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[(3-ethylpentan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCC(CC)(CC)NCc1ccccc1C(N)=NO
InChIInChI=1S/C15H25N3O/c1-4-15(5-2,6-3)17-11-12-9-7-8-10-13(12)14(16)18-19/h7-10,17,19H,4-6,11H2,1-3H3,(H2,16,18)
InChIKeyFPNQPNBAKBATNI-UHFFFAOYSA-N
XLogP2.84
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-3-methylbutanamide
CID 106096843
N'-hydroxy-2-(propylaminomethyl)benzenecarboximidamide
CID 77028736
2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]benzamide
CID 107865413
N'-hydroxy-2-[(3-methylbut-2-enylamino)methyl]benzenecarboximidamide
CID 114155961
N'-hydroxy-2-[(2-hydroxybutylamino)methyl]benzenecarboximidamide
CID 113492257
2-[(heptan-2-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77031931
2-[[(2-ethoxy-2-methylpropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 114942647
N-[2-[[2-(N'-hydroxycarbamimidoyl)phenyl]methylamino]ethyl]acetamide
CID 77027555
2-[(hexan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77028016
2-[(2-ethoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77025252
2-butyl-N'-hydroxybenzenecarboximidamide
CID 141269238
2-(aminomethyl)-N'-hydroxybenzenecarboximidamide
CID 22358532

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylpentan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(3-ethylpentan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide (CID 77055815) is 2-[(3-ethylpentan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(3-ethylpentan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(3-ethylpentan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide is CCC(CC)(CC)NCc1ccccc1C(N)=NO.
What is the InChIKey of 2-[(3-ethylpentan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is FPNQPNBAKBATNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-15(5-2,6-3)17-11-12-9-7-8-10-13(12)14(16)18-19/h7-10,17,19H,4-6,11H2,1-3H3,(H2,16,18).
What are the key properties of 2-[(3-ethylpentan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide?
2-[(3-ethylpentan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 263.38 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylpentan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77055815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).