N'-[1-(furan-2-yl)propan-2-yl]butanimidamide

C11H18N2O — CID 63176856

IUPACN'-[1-(furan-2-yl)propan-2-yl]butanimidamide
SMILESCCC/C(N)=N\C(C)Cc1ccco1
InChIInChI=1S/C11H18N2O/c1-3-5-11(12)13-9(2)8-10-6-4-7-14-10/h4,6-7,9H,3,5,8H2,1-2H3,(H2,12,13)
InChIKeyFHRPKCYPQHGMOC-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.37
Rot. Bonds5

About N'-[1-(furan-2-yl)propan-2-yl]butanimidamide

N'-[1-(furan-2-yl)propan-2-yl]butanimidamide (PubChem CID 63176856) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N'-[1-(furan-2-yl)propan-2-yl]butanimidamide.

Molecular Properties

Compound NameN'-[1-(furan-2-yl)propan-2-yl]butanimidamide
PubChem CID63176856
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN'-[1-(furan-2-yl)propan-2-yl]butanimidamide
SMILESCCC/C(N)=N\C(C)Cc1ccco1
InChIInChI=1S/C11H18N2O/c1-3-5-11(12)13-9(2)8-10-6-4-7-14-10/h4,6-7,9H,3,5,8H2,1-2H3,(H2,12,13)
InChIKeyFHRPKCYPQHGMOC-UHFFFAOYSA-N
XLogP2.37
TPSA51.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
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

N'-[4-(furan-2-yl)butan-2-yl]butanimidamide
CID 63177351
propyl 3-(furan-2-yl)-2-methylpropanoate
CID 175280714
2-(2-methylpropyl)furan;propanoic acid
CID 158583493
1-(furan-2-yl)propan-2-yl carbamate
CID 67843163
ethyl 2-amino-3-(furan-2-yl)propanoate
CID 22608494
2-(2-ethylbutyl)furan
CID 68844643
1-(furan-2-yl)hexan-2-ol
CID 83171633
2-(furan-2-yl)ethane-1,1-diol
CID 156698008
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
3-[ethyl-[1-(furan-2-yl)propan-2-yl]amino]propanoic acid
CID 65062809
2-[1-(furan-2-yl)propan-2-ylamino]butanamide
CID 62899658
2-(furan-2-ylmethyl)butan-1-amine
CID 13029329

Frequently Asked Questions

What is the IUPAC name of N'-[1-(furan-2-yl)propan-2-yl]butanimidamide?
The IUPAC name of N'-[1-(furan-2-yl)propan-2-yl]butanimidamide (CID 63176856) is N'-[1-(furan-2-yl)propan-2-yl]butanimidamide.
What is the SMILES notation for N'-[1-(furan-2-yl)propan-2-yl]butanimidamide?
The canonical SMILES for N'-[1-(furan-2-yl)propan-2-yl]butanimidamide is CCC/C(N)=N\C(C)Cc1ccco1.
What is the InChIKey of N'-[1-(furan-2-yl)propan-2-yl]butanimidamide?
The InChIKey is FHRPKCYPQHGMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-5-11(12)13-9(2)8-10-6-4-7-14-10/h4,6-7,9H,3,5,8H2,1-2H3,(H2,12,13).
What are the key properties of N'-[1-(furan-2-yl)propan-2-yl]butanimidamide?
N'-[1-(furan-2-yl)propan-2-yl]butanimidamide has a molecular weight of 194.28 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(furan-2-yl)propan-2-yl]butanimidamide is sourced from PubChem (CID 63176856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).