N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide

C17H32N2 — CID 142121542

IUPACN'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide
SMILESC=C/C(=C\N=C(/C(C)CC)N(CCC)CCC)CC
InChIInChI=1S/C17H32N2/c1-7-12-19(13-8-2)17(15(6)9-3)18-14-16(10-4)11-5/h10,14-15H,4,7-9,11-13H2,1-3,5-6H3/b16-14+,18-17+
InChIKeyFOSHZENZIFBGHB-ZCXPIULRSA-N
MW264.46 g/mol
LogP5.03
Rot. Bonds9

About N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide

N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide (PubChem CID 142121542) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide.

Molecular Properties

Compound NameN'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide
PubChem CID142121542
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide
SMILESC=C/C(=C\N=C(/C(C)CC)N(CCC)CCC)CC
InChIInChI=1S/C17H32N2/c1-7-12-19(13-8-2)17(15(6)9-3)18-14-16(10-4)11-5/h10,14-15H,4,7-9,11-13H2,1-3,5-6H3/b16-14+,18-17+
InChIKeyFOSHZENZIFBGHB-ZCXPIULRSA-N
XLogP5.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.46
LogP ≤ 55.03
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'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide?
The IUPAC name of N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide (CID 142121542) is N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide.
What is the SMILES notation for N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide?
The canonical SMILES for N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide is C=C/C(=C\N=C(/C(C)CC)N(CCC)CCC)CC.
What is the InChIKey of N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide?
The InChIKey is FOSHZENZIFBGHB-ZCXPIULRSA-N. The full InChI is InChI=1S/C17H32N2/c1-7-12-19(13-8-2)17(15(6)9-3)18-14-16(10-4)11-5/h10,14-15H,4,7-9,11-13H2,1-3,5-6H3/b16-14+,18-17+.
What are the key properties of N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide?
N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide has a molecular weight of 264.46 g/mol, XLogP of 5.03, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide is sourced from PubChem (CID 142121542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).