3-methyl-N-propan-2-yl-N'-propylbut-2-enimidamide

C11H22N2 — CID 130433854

IUPAC3-methyl-N-propan-2-yl-N'-propylbut-2-enimidamide
SMILESCCC/N=C(\C=C(C)C)NC(C)C
InChIInChI=1S/C11H22N2/c1-6-7-12-11(8-9(2)3)13-10(4)5/h8,10H,6-7H2,1-5H3,(H,12,13)
InChIKeyYDZAAQRNPNBMPB-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.76
Rot. Bonds4

About 3-methyl-N-propan-2-yl-N'-propylbut-2-enimidamide

3-methyl-N-propan-2-yl-N'-propylbut-2-enimidamide (PubChem CID 130433854) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-N'-propylbut-2-enimidamide.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-N'-propylbut-2-enimidamide
PubChem CID130433854
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-methyl-N-propan-2-yl-N'-propylbut-2-enimidamide
SMILESCCC/N=C(\C=C(C)C)NC(C)C
InChIInChI=1S/C11H22N2/c1-6-7-12-11(8-9(2)3)13-10(4)5/h8,10H,6-7H2,1-5H3,(H,12,13)
InChIKeyYDZAAQRNPNBMPB-UHFFFAOYSA-N
XLogP2.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.76
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-N'-propylbut-2-enimidamide?
The IUPAC name of 3-methyl-N-propan-2-yl-N'-propylbut-2-enimidamide (CID 130433854) is 3-methyl-N-propan-2-yl-N'-propylbut-2-enimidamide.
What is the SMILES notation for 3-methyl-N-propan-2-yl-N'-propylbut-2-enimidamide?
The canonical SMILES for 3-methyl-N-propan-2-yl-N'-propylbut-2-enimidamide is CCC/N=C(\C=C(C)C)NC(C)C.
What is the InChIKey of 3-methyl-N-propan-2-yl-N'-propylbut-2-enimidamide?
The InChIKey is YDZAAQRNPNBMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-6-7-12-11(8-9(2)3)13-10(4)5/h8,10H,6-7H2,1-5H3,(H,12,13).
What are the key properties of 3-methyl-N-propan-2-yl-N'-propylbut-2-enimidamide?
3-methyl-N-propan-2-yl-N'-propylbut-2-enimidamide has a molecular weight of 182.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-N'-propylbut-2-enimidamide is sourced from PubChem (CID 130433854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).