N-[(E)-hex-3-en-3-yl]-N'-(2-methylidenebutyl)methanimidamide

C12H22N2 — CID 123443972

IUPACN-[(E)-hex-3-en-3-yl]-N'-(2-methylidenebutyl)methanimidamide
SMILESC=C(CC)C/N=C/N/C(=C/CC)CC
InChIInChI=1S/C12H22N2/c1-5-8-12(7-3)14-10-13-9-11(4)6-2/h8,10H,4-7,9H2,1-3H3,(H,13,14)/b12-8+
InChIKeyDHQSJVGDHGTFES-XYOKQWHBSA-N
MW194.32 g/mol
LogP3.27
Rot. Bonds7

About N-[(E)-hex-3-en-3-yl]-N'-(2-methylidenebutyl)methanimidamide

N-[(E)-hex-3-en-3-yl]-N'-(2-methylidenebutyl)methanimidamide (PubChem CID 123443972) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[(E)-hex-3-en-3-yl]-N'-(2-methylidenebutyl)methanimidamide.

Molecular Properties

Compound NameN-[(E)-hex-3-en-3-yl]-N'-(2-methylidenebutyl)methanimidamide
PubChem CID123443972
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[(E)-hex-3-en-3-yl]-N'-(2-methylidenebutyl)methanimidamide
SMILESC=C(CC)C/N=C/N/C(=C/CC)CC
InChIInChI=1S/C12H22N2/c1-5-8-12(7-3)14-10-13-9-11(4)6-2/h8,10H,4-7,9H2,1-3H3,(H,13,14)/b12-8+
InChIKeyDHQSJVGDHGTFES-XYOKQWHBSA-N
XLogP3.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.27
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-2-[[(2E,4E)-2-ethyl-5,6-difluorohexa-2,4-dienyl]amino]pent-2-enyl]-N'-methylmethanimidamide
CID 144287765
6-Ethyl-1,4-dihydropyrimidine
CID 19748726
5,6-Di(propan-2-yl)-1,4-dihydropyrimidine
CID 60071327
5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
N-[(Z)-1-amino-2-methylhex-2-en-3-yl]-N'-methylmethanimidamide
CID 90452832
6-Propan-2-yl-1,4-dihydropyrimidine
CID 101687777
1,4,5,8-Tetrahydroquinazoline
CID 118369126
N'-ethenyl-N-(3-methylpent-2-en-2-yl)methanimidamide
CID 123221162
5-[(1E,3E)-2,3-dimethylhexa-1,3,5-trienyl]-6-methyl-1,4-dihydropyrimidin-4-amine
CID 123303165
6-Ethyl-1,4-dihydropyrimidin-4-amine
CID 123387802
N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide
CID 123434689
N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide
CID 123441819

Frequently Asked Questions

What is the IUPAC name of N-[(E)-hex-3-en-3-yl]-N'-(2-methylidenebutyl)methanimidamide?
The IUPAC name of N-[(E)-hex-3-en-3-yl]-N'-(2-methylidenebutyl)methanimidamide (CID 123443972) is N-[(E)-hex-3-en-3-yl]-N'-(2-methylidenebutyl)methanimidamide.
What is the SMILES notation for N-[(E)-hex-3-en-3-yl]-N'-(2-methylidenebutyl)methanimidamide?
The canonical SMILES for N-[(E)-hex-3-en-3-yl]-N'-(2-methylidenebutyl)methanimidamide is C=C(CC)C/N=C/N/C(=C/CC)CC.
What is the InChIKey of N-[(E)-hex-3-en-3-yl]-N'-(2-methylidenebutyl)methanimidamide?
The InChIKey is DHQSJVGDHGTFES-XYOKQWHBSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-8-12(7-3)14-10-13-9-11(4)6-2/h8,10H,4-7,9H2,1-3H3,(H,13,14)/b12-8+.
What are the key properties of N-[(E)-hex-3-en-3-yl]-N'-(2-methylidenebutyl)methanimidamide?
N-[(E)-hex-3-en-3-yl]-N'-(2-methylidenebutyl)methanimidamide has a molecular weight of 194.32 g/mol, XLogP of 3.27, 7 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]-N'-(2-methylidenebutyl)methanimidamide is sourced from PubChem (CID 123443972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).