3-[[amino(azepane-1-carbonyl)amino]methyl]-N'-hydroxybenzenecarboximidamide

C15H23N5O2 — CID 142150262

IUPAC3-[[amino(azepane-1-carbonyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1cccc(CN(N)C(=O)N2CCCCCC2)c1
InChIInChI=1S/C15H23N5O2/c16-14(18-22)13-7-5-6-12(10-13)11-20(17)15(21)19-8-3-1-2-4-9-19/h5-7,10,22H,1-4,8-9,11,17H2,(H2,16,18)
InChIKeyKTJRYUQNMCMZFX-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.45
Rot. Bonds3

About 3-[[amino(azepane-1-carbonyl)amino]methyl]-N'-hydroxybenzenecarboximidamide

3-[[amino(azepane-1-carbonyl)amino]methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 142150262) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[[amino(azepane-1-carbonyl)amino]methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[[amino(azepane-1-carbonyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID142150262
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name3-[[amino(azepane-1-carbonyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1cccc(CN(N)C(=O)N2CCCCCC2)c1
InChIInChI=1S/C15H23N5O2/c16-14(18-22)13-7-5-6-12(10-13)11-20(17)15(21)19-8-3-1-2-4-9-19/h5-7,10,22H,1-4,8-9,11,17H2,(H2,16,18)
InChIKeyKTJRYUQNMCMZFX-UHFFFAOYSA-N
XLogP1.45
TPSA108.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Related Compounds

3-[[azepane-1-carbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 90783131
3-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24695733
2-[3-(N'-hydroxycarbamimidoyl)phenyl]acetic acid
CID 90990640
3-[[azepane-1-carbonyl-[(6-methoxynaphthalen-2-yl)sulfonylamino]amino]methyl]benzenecarboximidamide;3-[[azepane-1-carbonyl-[(6-methoxynaphthalen-2-yl)sulfonylamino]amino]methyl]-N'-hydroxybenzenecarboximidamide;hydrochloride
CID 173203176
3-[(E)-N'-hydroxycarbamimidoyl]-N-piperidin-1-ylbenzamide
CID 83023360
1,1-diethyl-3-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-methylurea
CID 79161393
N'-hydroxy-3-[[2-(hydroxymethyl)azepan-1-yl]methyl]benzenecarboximidamide
CID 116634961
4-[2-(azocan-1-yl)-2-oxoethyl]-N'-hydroxybenzenecarboximidamide
CID 77000979
4-[2-(azepan-1-yl)-2-oxoethyl]-N'-hydroxybenzenecarboximidamide
CID 77001717
N'-hydroxy-3-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzenecarboximidamide
CID 103002972
3-[[ethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 55142319
3-[[cyclopropylmethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77052477

Frequently Asked Questions

What is the IUPAC name of 3-[[amino(azepane-1-carbonyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[[amino(azepane-1-carbonyl)amino]methyl]-N'-hydroxybenzenecarboximidamide (CID 142150262) is 3-[[amino(azepane-1-carbonyl)amino]methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[[amino(azepane-1-carbonyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[[amino(azepane-1-carbonyl)amino]methyl]-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1cccc(CN(N)C(=O)N2CCCCCC2)c1.
What is the InChIKey of 3-[[amino(azepane-1-carbonyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is KTJRYUQNMCMZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c16-14(18-22)13-7-5-6-12(10-13)11-20(17)15(21)19-8-3-1-2-4-9-19/h5-7,10,22H,1-4,8-9,11,17H2,(H2,16,18).
What are the key properties of 3-[[amino(azepane-1-carbonyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
3-[[amino(azepane-1-carbonyl)amino]methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 305.38 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino(azepane-1-carbonyl)amino]methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 142150262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).