2-methyl-1-[(2S,4Z,6Z)-octa-4,6-dien-2-yl]guanidine

C10H19N3 — CID 142199276

IUPAC2-methyl-1-[(2S,4Z,6Z)-octa-4,6-dien-2-yl]guanidine
SMILESC/C=C\C=C/C[C@H](C)N/C(N)=N/C
InChIInChI=1S/C10H19N3/c1-4-5-6-7-8-9(2)13-10(11)12-3/h4-7,9H,8H2,1-3H3,(H3,11,12,13)/b5-4-,7-6-/t9-/m0/s1
InChIKeySOQXWCUAMQRCHB-RVFQFHBHSA-N
MW181.28 g/mol
LogP1.43
Rot. Bonds4

About 2-methyl-1-[(2S,4Z,6Z)-octa-4,6-dien-2-yl]guanidine

2-methyl-1-[(2S,4Z,6Z)-octa-4,6-dien-2-yl]guanidine (PubChem CID 142199276) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-methyl-1-[(2S,4Z,6Z)-octa-4,6-dien-2-yl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[(2S,4Z,6Z)-octa-4,6-dien-2-yl]guanidine
PubChem CID142199276
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-methyl-1-[(2S,4Z,6Z)-octa-4,6-dien-2-yl]guanidine
SMILESC/C=C\C=C/C[C@H](C)N/C(N)=N/C
InChIInChI=1S/C10H19N3/c1-4-5-6-7-8-9(2)13-10(11)12-3/h4-7,9H,8H2,1-3H3,(H3,11,12,13)/b5-4-,7-6-/t9-/m0/s1
InChIKeySOQXWCUAMQRCHB-RVFQFHBHSA-N
XLogP1.43
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.43
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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Related Compounds

1-Cyclopent-3-en-1-yl-3-ethyl-2-(3-fluoropropyl)guanidine
CID 109771081
2-Methyl-1-pent-4-en-2-ylguanidine
CID 115769278
N'-butan-2-yl-N-[(3E)-hexa-3,5-dien-3-yl]methanimidamide
CID 135243193
N'-ethyl-N-[(3E)-hexa-3,5-dien-3-yl]methanimidamide
CID 154967938
CID 173822736
CID 173822736
2-(Methylaminomethyl)-1-pent-4-en-2-ylguanidine
CID 173828307
N'-[[(2-methyl-2,3-dihydro-1H-azepin-7-yl)amino]methyl]methanimidamide
CID 173903058
1-Cyclopent-2-en-1-yl-2-methylguanidine
CID 54210721
1-Cyclohex-3-en-1-yl-2-ethylguanidine
CID 65679563
1-Cyclohex-3-en-1-yl-2-(2-methylpropyl)guanidine
CID 65679564
1-Cyclohex-3-en-1-yl-2-methylguanidine
CID 65679565
2-Cyclohex-3-en-1-yl-1-propan-2-ylguanidine
CID 65679772

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2S,4Z,6Z)-octa-4,6-dien-2-yl]guanidine?
The IUPAC name of 2-methyl-1-[(2S,4Z,6Z)-octa-4,6-dien-2-yl]guanidine (CID 142199276) is 2-methyl-1-[(2S,4Z,6Z)-octa-4,6-dien-2-yl]guanidine.
What is the SMILES notation for 2-methyl-1-[(2S,4Z,6Z)-octa-4,6-dien-2-yl]guanidine?
The canonical SMILES for 2-methyl-1-[(2S,4Z,6Z)-octa-4,6-dien-2-yl]guanidine is C/C=C\C=C/C[C@H](C)N/C(N)=N/C.
What is the InChIKey of 2-methyl-1-[(2S,4Z,6Z)-octa-4,6-dien-2-yl]guanidine?
The InChIKey is SOQXWCUAMQRCHB-RVFQFHBHSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-5-6-7-8-9(2)13-10(11)12-3/h4-7,9H,8H2,1-3H3,(H3,11,12,13)/b5-4-,7-6-/t9-/m0/s1.
What are the key properties of 2-methyl-1-[(2S,4Z,6Z)-octa-4,6-dien-2-yl]guanidine?
2-methyl-1-[(2S,4Z,6Z)-octa-4,6-dien-2-yl]guanidine has a molecular weight of 181.28 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2S,4Z,6Z)-octa-4,6-dien-2-yl]guanidine is sourced from PubChem (CID 142199276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).