N'-(4-propan-2-ylhept-3-en-2-yl)ethanimidamide

C12H24N2 — CID 90740526

IUPACN'-(4-propan-2-ylhept-3-en-2-yl)ethanimidamide
SMILESCCCC(=CC(C)/N=C(\C)N)C(C)C
InChIInChI=1S/C12H24N2/c1-6-7-12(9(2)3)8-10(4)14-11(5)13/h8-10H,6-7H2,1-5H3,(H2,13,14)
InChIKeyRALIWBMFWANBLH-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.13
Rot. Bonds5

About N'-(4-propan-2-ylhept-3-en-2-yl)ethanimidamide

N'-(4-propan-2-ylhept-3-en-2-yl)ethanimidamide (PubChem CID 90740526) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N'-(4-propan-2-ylhept-3-en-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(4-propan-2-ylhept-3-en-2-yl)ethanimidamide
PubChem CID90740526
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN'-(4-propan-2-ylhept-3-en-2-yl)ethanimidamide
SMILESCCCC(=CC(C)/N=C(\C)N)C(C)C
InChIInChI=1S/C12H24N2/c1-6-7-12(9(2)3)8-10(4)14-11(5)13/h8-10H,6-7H2,1-5H3,(H2,13,14)
InChIKeyRALIWBMFWANBLH-UHFFFAOYSA-N
XLogP3.13
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.13
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'-(4-propan-2-ylhept-3-en-2-yl)ethanimidamide?
The IUPAC name of N'-(4-propan-2-ylhept-3-en-2-yl)ethanimidamide (CID 90740526) is N'-(4-propan-2-ylhept-3-en-2-yl)ethanimidamide.
What is the SMILES notation for N'-(4-propan-2-ylhept-3-en-2-yl)ethanimidamide?
The canonical SMILES for N'-(4-propan-2-ylhept-3-en-2-yl)ethanimidamide is CCCC(=CC(C)/N=C(\C)N)C(C)C.
What is the InChIKey of N'-(4-propan-2-ylhept-3-en-2-yl)ethanimidamide?
The InChIKey is RALIWBMFWANBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-6-7-12(9(2)3)8-10(4)14-11(5)13/h8-10H,6-7H2,1-5H3,(H2,13,14).
What are the key properties of N'-(4-propan-2-ylhept-3-en-2-yl)ethanimidamide?
N'-(4-propan-2-ylhept-3-en-2-yl)ethanimidamide has a molecular weight of 196.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-propan-2-ylhept-3-en-2-yl)ethanimidamide is sourced from PubChem (CID 90740526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).