N-[(Z)-but-1-enyl]-N'-[(3E)-hepta-1,3-dien-4-yl]-N-methylmethanimidamide

C13H22N2 — CID 175626699

IUPACN-[(Z)-but-1-enyl]-N'-[(3E)-hepta-1,3-dien-4-yl]-N-methylmethanimidamide
SMILESC=C/C=C(CCC)/N=C/N(C)/C=C\CC
InChIInChI=1S/C13H22N2/c1-5-8-11-15(4)12-14-13(9-6-2)10-7-3/h6,8-9,11-12H,2,5,7,10H2,1,3-4H3/b11-8-,13-9+,14-12+
InChIKeyVRNFYBTXNNNADL-NNRLMOERSA-N
MW206.33 g/mol
LogP3.74
Rot. Bonds7

About N-[(Z)-but-1-enyl]-N'-[(3E)-hepta-1,3-dien-4-yl]-N-methylmethanimidamide

N-[(Z)-but-1-enyl]-N'-[(3E)-hepta-1,3-dien-4-yl]-N-methylmethanimidamide (PubChem CID 175626699) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[(Z)-but-1-enyl]-N'-[(3E)-hepta-1,3-dien-4-yl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-[(Z)-but-1-enyl]-N'-[(3E)-hepta-1,3-dien-4-yl]-N-methylmethanimidamide
PubChem CID175626699
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[(Z)-but-1-enyl]-N'-[(3E)-hepta-1,3-dien-4-yl]-N-methylmethanimidamide
SMILESC=C/C=C(CCC)/N=C/N(C)/C=C\CC
InChIInChI=1S/C13H22N2/c1-5-8-11-15(4)12-14-13(9-6-2)10-7-3/h6,8-9,11-12H,2,5,7,10H2,1,3-4H3/b11-8-,13-9+,14-12+
InChIKeyVRNFYBTXNNNADL-NNRLMOERSA-N
XLogP3.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-1-enyl]-N'-[(3E)-hepta-1,3-dien-4-yl]-N-methylmethanimidamide?
The IUPAC name of N-[(Z)-but-1-enyl]-N'-[(3E)-hepta-1,3-dien-4-yl]-N-methylmethanimidamide (CID 175626699) is N-[(Z)-but-1-enyl]-N'-[(3E)-hepta-1,3-dien-4-yl]-N-methylmethanimidamide.
What is the SMILES notation for N-[(Z)-but-1-enyl]-N'-[(3E)-hepta-1,3-dien-4-yl]-N-methylmethanimidamide?
The canonical SMILES for N-[(Z)-but-1-enyl]-N'-[(3E)-hepta-1,3-dien-4-yl]-N-methylmethanimidamide is C=C/C=C(CCC)/N=C/N(C)/C=C\CC.
What is the InChIKey of N-[(Z)-but-1-enyl]-N'-[(3E)-hepta-1,3-dien-4-yl]-N-methylmethanimidamide?
The InChIKey is VRNFYBTXNNNADL-NNRLMOERSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-8-11-15(4)12-14-13(9-6-2)10-7-3/h6,8-9,11-12H,2,5,7,10H2,1,3-4H3/b11-8-,13-9+,14-12+.
What are the key properties of N-[(Z)-but-1-enyl]-N'-[(3E)-hepta-1,3-dien-4-yl]-N-methylmethanimidamide?
N-[(Z)-but-1-enyl]-N'-[(3E)-hepta-1,3-dien-4-yl]-N-methylmethanimidamide has a molecular weight of 206.33 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-1-enyl]-N'-[(3E)-hepta-1,3-dien-4-yl]-N-methylmethanimidamide is sourced from PubChem (CID 175626699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).