(E)-3,4-dimethyl-N'-propan-2-ylpent-2-enimidamide

C10H20N2 — CID 139310002

IUPAC(E)-3,4-dimethyl-N'-propan-2-ylpent-2-enimidamide
SMILESC/C(=C\C(N)=N\C(C)C)C(C)C
InChIInChI=1S/C10H20N2/c1-7(2)9(5)6-10(11)12-8(3)4/h6-8H,1-5H3,(H2,11,12)/b9-6+
InChIKeyCRLHOLJCQNRRPB-RMKNXTFCSA-N
MW168.28 g/mol
LogP2.35
Rot. Bonds3

About (E)-3,4-dimethyl-N'-propan-2-ylpent-2-enimidamide

(E)-3,4-dimethyl-N'-propan-2-ylpent-2-enimidamide (PubChem CID 139310002) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (E)-3,4-dimethyl-N'-propan-2-ylpent-2-enimidamide.

Molecular Properties

Compound Name(E)-3,4-dimethyl-N'-propan-2-ylpent-2-enimidamide
PubChem CID139310002
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(E)-3,4-dimethyl-N'-propan-2-ylpent-2-enimidamide
SMILESC/C(=C\C(N)=N\C(C)C)C(C)C
InChIInChI=1S/C10H20N2/c1-7(2)9(5)6-10(11)12-8(3)4/h6-8H,1-5H3,(H2,11,12)/b9-6+
InChIKeyCRLHOLJCQNRRPB-RMKNXTFCSA-N
XLogP2.35
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.35
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 (E)-3,4-dimethyl-N'-propan-2-ylpent-2-enimidamide?
The IUPAC name of (E)-3,4-dimethyl-N'-propan-2-ylpent-2-enimidamide (CID 139310002) is (E)-3,4-dimethyl-N'-propan-2-ylpent-2-enimidamide.
What is the SMILES notation for (E)-3,4-dimethyl-N'-propan-2-ylpent-2-enimidamide?
The canonical SMILES for (E)-3,4-dimethyl-N'-propan-2-ylpent-2-enimidamide is C/C(=C\C(N)=N\C(C)C)C(C)C.
What is the InChIKey of (E)-3,4-dimethyl-N'-propan-2-ylpent-2-enimidamide?
The InChIKey is CRLHOLJCQNRRPB-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H20N2/c1-7(2)9(5)6-10(11)12-8(3)4/h6-8H,1-5H3,(H2,11,12)/b9-6+.
What are the key properties of (E)-3,4-dimethyl-N'-propan-2-ylpent-2-enimidamide?
(E)-3,4-dimethyl-N'-propan-2-ylpent-2-enimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,4-dimethyl-N'-propan-2-ylpent-2-enimidamide is sourced from PubChem (CID 139310002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).