N'-[(E)-hex-3-en-3-yl]butanimidamide

C10H20N2 — CID 167106563

IUPACN'-[(E)-hex-3-en-3-yl]butanimidamide
SMILESCC/C=C(CC)/N=C(/N)CCC
InChIInChI=1S/C10H20N2/c1-4-7-9(6-3)12-10(11)8-5-2/h7H,4-6,8H2,1-3H3,(H2,11,12)/b9-7+
InChIKeyMRVBFSQWTDYZGU-VQHVLOKHSA-N
MW168.28 g/mol
LogP2.85
Rot. Bonds5

About N'-[(E)-hex-3-en-3-yl]butanimidamide

N'-[(E)-hex-3-en-3-yl]butanimidamide (PubChem CID 167106563) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-[(E)-hex-3-en-3-yl]butanimidamide.

Molecular Properties

Compound NameN'-[(E)-hex-3-en-3-yl]butanimidamide
PubChem CID167106563
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-[(E)-hex-3-en-3-yl]butanimidamide
SMILESCC/C=C(CC)/N=C(/N)CCC
InChIInChI=1S/C10H20N2/c1-4-7-9(6-3)12-10(11)8-5-2/h7H,4-6,8H2,1-3H3,(H2,11,12)/b9-7+
InChIKeyMRVBFSQWTDYZGU-VQHVLOKHSA-N
XLogP2.85
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-hex-3-en-3-yl]butanimidamide?
The IUPAC name of N'-[(E)-hex-3-en-3-yl]butanimidamide (CID 167106563) is N'-[(E)-hex-3-en-3-yl]butanimidamide.
What is the SMILES notation for N'-[(E)-hex-3-en-3-yl]butanimidamide?
The canonical SMILES for N'-[(E)-hex-3-en-3-yl]butanimidamide is CC/C=C(CC)/N=C(/N)CCC.
What is the InChIKey of N'-[(E)-hex-3-en-3-yl]butanimidamide?
The InChIKey is MRVBFSQWTDYZGU-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-7-9(6-3)12-10(11)8-5-2/h7H,4-6,8H2,1-3H3,(H2,11,12)/b9-7+.
What are the key properties of N'-[(E)-hex-3-en-3-yl]butanimidamide?
N'-[(E)-hex-3-en-3-yl]butanimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-hex-3-en-3-yl]butanimidamide is sourced from PubChem (CID 167106563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).