(Z)-4-methyl-3-prop-1-enylhept-2-enimidamide

C11H20N2 — CID 123583019

IUPAC(Z)-4-methyl-3-prop-1-enylhept-2-enimidamide
SMILES[H]/N=C(N)/C=C(\C=CC)C(C)CCC
InChIInChI=1S/C11H20N2/c1-4-6-9(3)10(7-5-2)8-11(12)13/h5,7-9H,4,6H2,1-3H3,(H3,12,13)/b7-5?,10-8+
InChIKeyIQIQXLDASXDEKI-QSKBLMOKSA-N
MW180.30 g/mol
LogP2.86
Rot. Bonds5

About (Z)-4-methyl-3-prop-1-enylhept-2-enimidamide

(Z)-4-methyl-3-prop-1-enylhept-2-enimidamide (PubChem CID 123583019) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is (Z)-4-methyl-3-prop-1-enylhept-2-enimidamide.

Molecular Properties

Compound Name(Z)-4-methyl-3-prop-1-enylhept-2-enimidamide
PubChem CID123583019
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name(Z)-4-methyl-3-prop-1-enylhept-2-enimidamide
SMILES[H]/N=C(N)/C=C(\C=CC)C(C)CCC
InChIInChI=1S/C11H20N2/c1-4-6-9(3)10(7-5-2)8-11(12)13/h5,7-9H,4,6H2,1-3H3,(H3,12,13)/b7-5?,10-8+
InChIKeyIQIQXLDASXDEKI-QSKBLMOKSA-N
XLogP2.86
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.86
H-Bond Donors ≤ 52
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 (Z)-4-methyl-3-prop-1-enylhept-2-enimidamide?
The IUPAC name of (Z)-4-methyl-3-prop-1-enylhept-2-enimidamide (CID 123583019) is (Z)-4-methyl-3-prop-1-enylhept-2-enimidamide.
What is the SMILES notation for (Z)-4-methyl-3-prop-1-enylhept-2-enimidamide?
The canonical SMILES for (Z)-4-methyl-3-prop-1-enylhept-2-enimidamide is [H]/N=C(N)/C=C(\C=CC)C(C)CCC.
What is the InChIKey of (Z)-4-methyl-3-prop-1-enylhept-2-enimidamide?
The InChIKey is IQIQXLDASXDEKI-QSKBLMOKSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-6-9(3)10(7-5-2)8-11(12)13/h5,7-9H,4,6H2,1-3H3,(H3,12,13)/b7-5?,10-8+.
What are the key properties of (Z)-4-methyl-3-prop-1-enylhept-2-enimidamide?
(Z)-4-methyl-3-prop-1-enylhept-2-enimidamide has a molecular weight of 180.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-3-prop-1-enylhept-2-enimidamide is sourced from PubChem (CID 123583019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).