N'-[4-(furan-2-yl)butan-2-yl]butanimidamide

C12H20N2O — CID 63177351

IUPACN'-[4-(furan-2-yl)butan-2-yl]butanimidamide
SMILESCCC/C(N)=N\C(C)CCc1ccco1
InChIInChI=1S/C12H20N2O/c1-3-5-12(13)14-10(2)7-8-11-6-4-9-15-11/h4,6,9-10H,3,5,7-8H2,1-2H3,(H2,13,14)
InChIKeyCQHFZJNZTCKEGD-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.76
Rot. Bonds6

About N'-[4-(furan-2-yl)butan-2-yl]butanimidamide

N'-[4-(furan-2-yl)butan-2-yl]butanimidamide (PubChem CID 63177351) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N'-[4-(furan-2-yl)butan-2-yl]butanimidamide.

Molecular Properties

Compound NameN'-[4-(furan-2-yl)butan-2-yl]butanimidamide
PubChem CID63177351
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN'-[4-(furan-2-yl)butan-2-yl]butanimidamide
SMILESCCC/C(N)=N\C(C)CCc1ccco1
InChIInChI=1S/C12H20N2O/c1-3-5-12(13)14-10(2)7-8-11-6-4-9-15-11/h4,6,9-10H,3,5,7-8H2,1-2H3,(H2,13,14)
InChIKeyCQHFZJNZTCKEGD-UHFFFAOYSA-N
XLogP2.76
TPSA51.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.76
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'-[1-(furan-2-yl)propan-2-yl]butanimidamide
CID 63176856
1-amino-2-[4-(furan-2-yl)butan-2-yl]guanidine
CID 64872844
N'-(4-phenylbutan-2-yl)butanimidamide
CID 62048860
N'-[4-(furan-2-yl)butan-2-yl]benzenecarboximidamide
CID 55158629
2-(3-methylhexyl)furan
CID 12840321
3-(furan-2-yl)-1-(4-propylphenyl)propan-1-ol
CID 105095239
(3R)-1-(furan-2-yl)-4-methylpentan-3-amine
CID 94915074
2-[4-(furan-2-yl)butan-2-ylamino]-N'-hydroxypropanimidamide
CID 77030711
1-(furan-2-yl)hexan-3-ylhydrazine
CID 105282196
1-(furan-2-yl)-6-methylheptan-3-ol
CID 105085501
ethyl 2-[4-(furan-2-yl)butan-2-ylamino]pentanoate
CID 83042042
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451

Frequently Asked Questions

What is the IUPAC name of N'-[4-(furan-2-yl)butan-2-yl]butanimidamide?
The IUPAC name of N'-[4-(furan-2-yl)butan-2-yl]butanimidamide (CID 63177351) is N'-[4-(furan-2-yl)butan-2-yl]butanimidamide.
What is the SMILES notation for N'-[4-(furan-2-yl)butan-2-yl]butanimidamide?
The canonical SMILES for N'-[4-(furan-2-yl)butan-2-yl]butanimidamide is CCC/C(N)=N\C(C)CCc1ccco1.
What is the InChIKey of N'-[4-(furan-2-yl)butan-2-yl]butanimidamide?
The InChIKey is CQHFZJNZTCKEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-5-12(13)14-10(2)7-8-11-6-4-9-15-11/h4,6,9-10H,3,5,7-8H2,1-2H3,(H2,13,14).
What are the key properties of N'-[4-(furan-2-yl)butan-2-yl]butanimidamide?
N'-[4-(furan-2-yl)butan-2-yl]butanimidamide has a molecular weight of 208.30 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(furan-2-yl)butan-2-yl]butanimidamide is sourced from PubChem (CID 63177351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).