(Z)-5-methyl-2-propan-2-ylidene-N'-prop-1-en-2-ylhept-5-enimidamide

C14H24N2 — CID 163880720

IUPAC(Z)-5-methyl-2-propan-2-ylidene-N'-prop-1-en-2-ylhept-5-enimidamide
SMILESC=C(C)/N=C(\N)C(CC/C(C)=C\C)=C(C)C
InChIInChI=1S/C14H24N2/c1-7-12(6)8-9-13(10(2)3)14(15)16-11(4)5/h7H,4,8-9H2,1-3,5-6H3,(H2,15,16)/b12-7-
InChIKeyPSYSTFYIVYVKGY-GHXNOFRVSA-N
MW220.36 g/mol
LogP3.96
Rot. Bonds5

About (Z)-5-methyl-2-propan-2-ylidene-N'-prop-1-en-2-ylhept-5-enimidamide

(Z)-5-methyl-2-propan-2-ylidene-N'-prop-1-en-2-ylhept-5-enimidamide (PubChem CID 163880720) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (Z)-5-methyl-2-propan-2-ylidene-N'-prop-1-en-2-ylhept-5-enimidamide.

Molecular Properties

Compound Name(Z)-5-methyl-2-propan-2-ylidene-N'-prop-1-en-2-ylhept-5-enimidamide
PubChem CID163880720
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(Z)-5-methyl-2-propan-2-ylidene-N'-prop-1-en-2-ylhept-5-enimidamide
SMILESC=C(C)/N=C(\N)C(CC/C(C)=C\C)=C(C)C
InChIInChI=1S/C14H24N2/c1-7-12(6)8-9-13(10(2)3)14(15)16-11(4)5/h7H,4,8-9H2,1-3,5-6H3,(H2,15,16)/b12-7-
InChIKeyPSYSTFYIVYVKGY-GHXNOFRVSA-N
XLogP3.96
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.96
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 (Z)-5-methyl-2-propan-2-ylidene-N'-prop-1-en-2-ylhept-5-enimidamide?
The IUPAC name of (Z)-5-methyl-2-propan-2-ylidene-N'-prop-1-en-2-ylhept-5-enimidamide (CID 163880720) is (Z)-5-methyl-2-propan-2-ylidene-N'-prop-1-en-2-ylhept-5-enimidamide.
What is the SMILES notation for (Z)-5-methyl-2-propan-2-ylidene-N'-prop-1-en-2-ylhept-5-enimidamide?
The canonical SMILES for (Z)-5-methyl-2-propan-2-ylidene-N'-prop-1-en-2-ylhept-5-enimidamide is C=C(C)/N=C(\N)C(CC/C(C)=C\C)=C(C)C.
What is the InChIKey of (Z)-5-methyl-2-propan-2-ylidene-N'-prop-1-en-2-ylhept-5-enimidamide?
The InChIKey is PSYSTFYIVYVKGY-GHXNOFRVSA-N. The full InChI is InChI=1S/C14H24N2/c1-7-12(6)8-9-13(10(2)3)14(15)16-11(4)5/h7H,4,8-9H2,1-3,5-6H3,(H2,15,16)/b12-7-.
What are the key properties of (Z)-5-methyl-2-propan-2-ylidene-N'-prop-1-en-2-ylhept-5-enimidamide?
(Z)-5-methyl-2-propan-2-ylidene-N'-prop-1-en-2-ylhept-5-enimidamide has a molecular weight of 220.36 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyl-2-propan-2-ylidene-N'-prop-1-en-2-ylhept-5-enimidamide is sourced from PubChem (CID 163880720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).