(2Z)-N'-methyl-N,N-dipropylpenta-2,4-dienimidamide

C12H22N2 — CID 126720088

IUPAC(2Z)-N'-methyl-N,N-dipropylpenta-2,4-dienimidamide
SMILESC=C/C=C\C(=N/C)N(CCC)CCC
InChIInChI=1S/C12H22N2/c1-5-8-9-12(13-4)14(10-6-2)11-7-3/h5,8-9H,1,6-7,10-11H2,2-4H3/b9-8-,13-12+
InChIKeyICISMTMTIVGBHE-YILALFFRSA-N
MW194.32 g/mol
LogP2.88
Rot. Bonds6

About (2Z)-N'-methyl-N,N-dipropylpenta-2,4-dienimidamide

(2Z)-N'-methyl-N,N-dipropylpenta-2,4-dienimidamide (PubChem CID 126720088) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (2Z)-N'-methyl-N,N-dipropylpenta-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z)-N'-methyl-N,N-dipropylpenta-2,4-dienimidamide
PubChem CID126720088
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(2Z)-N'-methyl-N,N-dipropylpenta-2,4-dienimidamide
SMILESC=C/C=C\C(=N/C)N(CCC)CCC
InChIInChI=1S/C12H22N2/c1-5-8-9-12(13-4)14(10-6-2)11-7-3/h5,8-9H,1,6-7,10-11H2,2-4H3/b9-8-,13-12+
InChIKeyICISMTMTIVGBHE-YILALFFRSA-N
XLogP2.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.88
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 (2Z)-N'-methyl-N,N-dipropylpenta-2,4-dienimidamide?
The IUPAC name of (2Z)-N'-methyl-N,N-dipropylpenta-2,4-dienimidamide (CID 126720088) is (2Z)-N'-methyl-N,N-dipropylpenta-2,4-dienimidamide.
What is the SMILES notation for (2Z)-N'-methyl-N,N-dipropylpenta-2,4-dienimidamide?
The canonical SMILES for (2Z)-N'-methyl-N,N-dipropylpenta-2,4-dienimidamide is C=C/C=C\C(=N/C)N(CCC)CCC.
What is the InChIKey of (2Z)-N'-methyl-N,N-dipropylpenta-2,4-dienimidamide?
The InChIKey is ICISMTMTIVGBHE-YILALFFRSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-8-9-12(13-4)14(10-6-2)11-7-3/h5,8-9H,1,6-7,10-11H2,2-4H3/b9-8-,13-12+.
What are the key properties of (2Z)-N'-methyl-N,N-dipropylpenta-2,4-dienimidamide?
(2Z)-N'-methyl-N,N-dipropylpenta-2,4-dienimidamide has a molecular weight of 194.32 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N'-methyl-N,N-dipropylpenta-2,4-dienimidamide is sourced from PubChem (CID 126720088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).