3-butan-2-yloxybenzenecarboximidamide

C11H16N2O — CID 42656931

IUPAC3-butan-2-yloxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OC(C)CC)c1
InChIInChI=1S/C11H16N2O/c1-3-8(2)14-10-6-4-5-9(7-10)11(12)13/h4-8H,3H2,1-2H3,(H3,12,13)
InChIKeyHNMRPRVPJCKWCN-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.15
Rot. Bonds4

About 3-butan-2-yloxybenzenecarboximidamide

3-butan-2-yloxybenzenecarboximidamide (PubChem CID 42656931) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-butan-2-yloxybenzenecarboximidamide.

Molecular Properties

Compound Name3-butan-2-yloxybenzenecarboximidamide
PubChem CID42656931
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-butan-2-yloxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OC(C)CC)c1
InChIInChI=1S/C11H16N2O/c1-3-8(2)14-10-6-4-5-9(7-10)11(12)13/h4-8H,3H2,1-2H3,(H3,12,13)
InChIKeyHNMRPRVPJCKWCN-UHFFFAOYSA-N
XLogP2.15
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.15
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

3-butan-2-yloxybenzenecarbothioamide
CID 43209213
(3-carbamimidoylphenyl) (2S)-2-aminopropanoate
CID 68930399
ethyl 3-[(2R)-butan-2-yl]oxybenzoate
CID 139830028
3-butan-2-ylbenzenecarboximidamide
CID 129164232
3-butan-2-yloxybenzenediazonium
CID 82972983
4-butan-2-yloxy-3,5-dimethylbenzenecarboximidamide
CID 65470800
(2S)-2-amino-N-[3-(3-carbamimidoylphenoxy)propyl]propanamide
CID 59749242
3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride
CID 82253521
3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide
CID 17150561
3-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 24702581
3-methoxy-5-pentan-2-yloxybenzenecarboximidamide
CID 107892959
3-[3-(4-carbamimidoylphenoxy)-2-hydroxypropoxy]benzenecarboximidamide
CID 141009968

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxybenzenecarboximidamide?
The IUPAC name of 3-butan-2-yloxybenzenecarboximidamide (CID 42656931) is 3-butan-2-yloxybenzenecarboximidamide.
What is the SMILES notation for 3-butan-2-yloxybenzenecarboximidamide?
The canonical SMILES for 3-butan-2-yloxybenzenecarboximidamide is [H]/N=C(\N)c1cccc(OC(C)CC)c1.
What is the InChIKey of 3-butan-2-yloxybenzenecarboximidamide?
The InChIKey is HNMRPRVPJCKWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-8(2)14-10-6-4-5-9(7-10)11(12)13/h4-8H,3H2,1-2H3,(H3,12,13).
What are the key properties of 3-butan-2-yloxybenzenecarboximidamide?
3-butan-2-yloxybenzenecarboximidamide has a molecular weight of 192.26 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxybenzenecarboximidamide is sourced from PubChem (CID 42656931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).