N'-methyl-N-[(E)-2-propan-2-ylpent-3-enyl]methanimidamide

C10H20N2 — CID 166907437

IUPACN'-methyl-N-[(E)-2-propan-2-ylpent-3-enyl]methanimidamide
SMILESC/C=C/C(CN/C=N/C)C(C)C
InChIInChI=1S/C10H20N2/c1-5-6-10(9(2)3)7-12-8-11-4/h5-6,8-10H,7H2,1-4H3,(H,11,12)/b6-5+
InChIKeyLPBSYFZBEMTCLA-AATRIKPKSA-N
MW168.28 g/mol
LogP2.08
Rot. Bonds5

About N'-methyl-N-[(E)-2-propan-2-ylpent-3-enyl]methanimidamide

N'-methyl-N-[(E)-2-propan-2-ylpent-3-enyl]methanimidamide (PubChem CID 166907437) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-methyl-N-[(E)-2-propan-2-ylpent-3-enyl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(E)-2-propan-2-ylpent-3-enyl]methanimidamide
PubChem CID166907437
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-methyl-N-[(E)-2-propan-2-ylpent-3-enyl]methanimidamide
SMILESC/C=C/C(CN/C=N/C)C(C)C
InChIInChI=1S/C10H20N2/c1-5-6-10(9(2)3)7-12-8-11-4/h5-6,8-10H,7H2,1-4H3,(H,11,12)/b6-5+
InChIKeyLPBSYFZBEMTCLA-AATRIKPKSA-N
XLogP2.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.08
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(E)-2-propan-2-ylpent-3-enyl]methanimidamide?
The IUPAC name of N'-methyl-N-[(E)-2-propan-2-ylpent-3-enyl]methanimidamide (CID 166907437) is N'-methyl-N-[(E)-2-propan-2-ylpent-3-enyl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[(E)-2-propan-2-ylpent-3-enyl]methanimidamide?
The canonical SMILES for N'-methyl-N-[(E)-2-propan-2-ylpent-3-enyl]methanimidamide is C/C=C/C(CN/C=N/C)C(C)C.
What is the InChIKey of N'-methyl-N-[(E)-2-propan-2-ylpent-3-enyl]methanimidamide?
The InChIKey is LPBSYFZBEMTCLA-AATRIKPKSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-6-10(9(2)3)7-12-8-11-4/h5-6,8-10H,7H2,1-4H3,(H,11,12)/b6-5+.
What are the key properties of N'-methyl-N-[(E)-2-propan-2-ylpent-3-enyl]methanimidamide?
N'-methyl-N-[(E)-2-propan-2-ylpent-3-enyl]methanimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(E)-2-propan-2-ylpent-3-enyl]methanimidamide is sourced from PubChem (CID 166907437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).