2-[(1Z,5Z)-5-methyl-3-methylidene-4-propan-2-ylideneocta-1,5,7-trienyl]guanidine

C14H21N3 — CID 167017040

IUPAC2-[(1Z,5Z)-5-methyl-3-methylidene-4-propan-2-ylideneocta-1,5,7-trienyl]guanidine
SMILESC=C/C=C(/C)C(C(=C)/C=C\N=C(N)N)=C(C)C
InChIInChI=1S/C14H21N3/c1-6-7-11(4)13(10(2)3)12(5)8-9-17-14(15)16/h6-9H,1,5H2,2-4H3,(H4,15,16,17)/b9-8-,11-7-
InChIKeyHMIYDYHYTYJVJG-VVPOTFPNSA-N
MW231.34 g/mol
LogP2.80
Rot. Bonds5

About 2-[(1Z,5Z)-5-methyl-3-methylidene-4-propan-2-ylideneocta-1,5,7-trienyl]guanidine

2-[(1Z,5Z)-5-methyl-3-methylidene-4-propan-2-ylideneocta-1,5,7-trienyl]guanidine (PubChem CID 167017040) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[(1Z,5Z)-5-methyl-3-methylidene-4-propan-2-ylideneocta-1,5,7-trienyl]guanidine.

Molecular Properties

Compound Name2-[(1Z,5Z)-5-methyl-3-methylidene-4-propan-2-ylideneocta-1,5,7-trienyl]guanidine
PubChem CID167017040
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-[(1Z,5Z)-5-methyl-3-methylidene-4-propan-2-ylideneocta-1,5,7-trienyl]guanidine
SMILESC=C/C=C(/C)C(C(=C)/C=C\N=C(N)N)=C(C)C
InChIInChI=1S/C14H21N3/c1-6-7-11(4)13(10(2)3)12(5)8-9-17-14(15)16/h6-9H,1,5H2,2-4H3,(H4,15,16,17)/b9-8-,11-7-
InChIKeyHMIYDYHYTYJVJG-VVPOTFPNSA-N
XLogP2.80
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.80
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 2-[(1Z,5Z)-5-methyl-3-methylidene-4-propan-2-ylideneocta-1,5,7-trienyl]guanidine?
The IUPAC name of 2-[(1Z,5Z)-5-methyl-3-methylidene-4-propan-2-ylideneocta-1,5,7-trienyl]guanidine (CID 167017040) is 2-[(1Z,5Z)-5-methyl-3-methylidene-4-propan-2-ylideneocta-1,5,7-trienyl]guanidine.
What is the SMILES notation for 2-[(1Z,5Z)-5-methyl-3-methylidene-4-propan-2-ylideneocta-1,5,7-trienyl]guanidine?
The canonical SMILES for 2-[(1Z,5Z)-5-methyl-3-methylidene-4-propan-2-ylideneocta-1,5,7-trienyl]guanidine is C=C/C=C(/C)C(C(=C)/C=C\N=C(N)N)=C(C)C.
What is the InChIKey of 2-[(1Z,5Z)-5-methyl-3-methylidene-4-propan-2-ylideneocta-1,5,7-trienyl]guanidine?
The InChIKey is HMIYDYHYTYJVJG-VVPOTFPNSA-N. The full InChI is InChI=1S/C14H21N3/c1-6-7-11(4)13(10(2)3)12(5)8-9-17-14(15)16/h6-9H,1,5H2,2-4H3,(H4,15,16,17)/b9-8-,11-7-.
What are the key properties of 2-[(1Z,5Z)-5-methyl-3-methylidene-4-propan-2-ylideneocta-1,5,7-trienyl]guanidine?
2-[(1Z,5Z)-5-methyl-3-methylidene-4-propan-2-ylideneocta-1,5,7-trienyl]guanidine has a molecular weight of 231.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z,5Z)-5-methyl-3-methylidene-4-propan-2-ylideneocta-1,5,7-trienyl]guanidine is sourced from PubChem (CID 167017040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).