N,N-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]methanimidamide

C8H14N2 — CID 129095107

IUPACN,N-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]methanimidamide
SMILESC=C/C=C(C)\N=C\N(C)C
InChIInChI=1S/C8H14N2/c1-5-6-8(2)9-7-10(3)4/h5-7H,1H2,2-4H3/b8-6-,9-7+
InChIKeyWQAYMDHTHFQPNE-MKKAVFGOSA-N
MW138.21 g/mol
LogP1.67
Rot. Bonds3

About N,N-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]methanimidamide

N,N-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]methanimidamide (PubChem CID 129095107) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N,N-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]methanimidamide
PubChem CID129095107
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN,N-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]methanimidamide
SMILESC=C/C=C(C)\N=C\N(C)C
InChIInChI=1S/C8H14N2/c1-5-6-8(2)9-7-10(3)4/h5-7H,1H2,2-4H3/b8-6-,9-7+
InChIKeyWQAYMDHTHFQPNE-MKKAVFGOSA-N
XLogP1.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.67
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,N-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]methanimidamide?
The IUPAC name of N,N-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]methanimidamide (CID 129095107) is N,N-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]methanimidamide is C=C/C=C(C)\N=C\N(C)C.
What is the InChIKey of N,N-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]methanimidamide?
The InChIKey is WQAYMDHTHFQPNE-MKKAVFGOSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-6-8(2)9-7-10(3)4/h5-7H,1H2,2-4H3/b8-6-,9-7+.
What are the key properties of N,N-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]methanimidamide?
N,N-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]methanimidamide has a molecular weight of 138.21 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]methanimidamide is sourced from PubChem (CID 129095107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).