2-[(1E)-2-methyl-4-(methylamino)penta-1,4-dienyl]-1-[(3E,5Z)-8-methylnona-1,3,5,8-tetraen-4-yl]guanidine

C18H28N4 — CID 143590505

IUPAC2-[(1E)-2-methyl-4-(methylamino)penta-1,4-dienyl]-1-[(3E,5Z)-8-methylnona-1,3,5,8-tetraen-4-yl]guanidine
SMILESC=C/C=C(\C=C/CC(=C)C)N/C(N)=N/C=C(\C)CC(=C)NC
InChIInChI=1S/C18H28N4/c1-7-9-17(11-8-10-14(2)3)22-18(19)21-13-15(4)12-16(5)20-6/h7-9,11,13,20H,1-2,5,10,12H2,3-4,6H3,(H3,19,21,22)/b11-8-,15-13+,17-9+
InChIKeyQHMXGHAZUJMKTM-HACADMFISA-N
MW300.45 g/mol
LogP3.51
Rot. Bonds9

About 2-[(1E)-2-methyl-4-(methylamino)penta-1,4-dienyl]-1-[(3E,5Z)-8-methylnona-1,3,5,8-tetraen-4-yl]guanidine

2-[(1E)-2-methyl-4-(methylamino)penta-1,4-dienyl]-1-[(3E,5Z)-8-methylnona-1,3,5,8-tetraen-4-yl]guanidine (PubChem CID 143590505) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-[(1E)-2-methyl-4-(methylamino)penta-1,4-dienyl]-1-[(3E,5Z)-8-methylnona-1,3,5,8-tetraen-4-yl]guanidine.

Molecular Properties

Compound Name2-[(1E)-2-methyl-4-(methylamino)penta-1,4-dienyl]-1-[(3E,5Z)-8-methylnona-1,3,5,8-tetraen-4-yl]guanidine
PubChem CID143590505
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name2-[(1E)-2-methyl-4-(methylamino)penta-1,4-dienyl]-1-[(3E,5Z)-8-methylnona-1,3,5,8-tetraen-4-yl]guanidine
SMILESC=C/C=C(\C=C/CC(=C)C)N/C(N)=N/C=C(\C)CC(=C)NC
InChIInChI=1S/C18H28N4/c1-7-9-17(11-8-10-14(2)3)22-18(19)21-13-15(4)12-16(5)20-6/h7-9,11,13,20H,1-2,5,10,12H2,3-4,6H3,(H3,19,21,22)/b11-8-,15-13+,17-9+
InChIKeyQHMXGHAZUJMKTM-HACADMFISA-N
XLogP3.51
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

7-N,7-dimethyl-1H-quinazoline-2,7-diamine
CID 70100778
10-[(3Z)-7-methylidenenona-1,3-dien-2-yl]-1,4,5,6-tetrahydro-1,3-diazecine
CID 91311689
1-Ethyl-2-[2-methylidene-5-[methyl-[3-methyl-3-(methylamino)but-1-en-2-yl]amino]hepta-3,5-dienyl]guanidine
CID 123235469
N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide
CID 123679921
N-[(1Z,3E)-1-amino-2-methylhexa-1,3,5-trien-3-yl]-N'-methylmethanimidamide
CID 129288826
N-[(4Z,6Z)-6-methylocta-1,4,6-trien-2-yl]-N'-[(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-yl]methanimidamide
CID 129294469
1-[(2Z,5Z)-3-amino-2-(methylamino)-4-methylidenehepta-2,5-dienyl]-2-methylguanidine
CID 134310260
ethane;N'-ethyl-N'-(3-ethyl-6-methylidene-5,7-dihydro-4H-pyrido[4,3-d][1,3]diazepin-2-yl)-N-methylethane-1,2-diamine
CID 141771398
ethane;N-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide
CID 143256830
N,4-bis(ethenyl)-1-methyl-6-(2-methylprop-2-enyl)pyrimidin-2-imine;ethene;(2E,4Z)-2-ethyl-1-N,4-N,4-N,5-tetramethylocta-2,4,7-triene-1,4-diamine
CID 143342947
acetylene;heptane;2-[(1E)-2-methyl-4-(methylamino)penta-1,4-dienyl]-1-[(3E,5Z)-8-methylnona-1,3,5,8-tetraen-4-yl]guanidine
CID 143590504
2-[1-(ethenylamino)-2-methylprop-1-enyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-3-methylideneguanidine
CID 145496993

Frequently Asked Questions

What is the IUPAC name of 2-[(1E)-2-methyl-4-(methylamino)penta-1,4-dienyl]-1-[(3E,5Z)-8-methylnona-1,3,5,8-tetraen-4-yl]guanidine?
The IUPAC name of 2-[(1E)-2-methyl-4-(methylamino)penta-1,4-dienyl]-1-[(3E,5Z)-8-methylnona-1,3,5,8-tetraen-4-yl]guanidine (CID 143590505) is 2-[(1E)-2-methyl-4-(methylamino)penta-1,4-dienyl]-1-[(3E,5Z)-8-methylnona-1,3,5,8-tetraen-4-yl]guanidine.
What is the SMILES notation for 2-[(1E)-2-methyl-4-(methylamino)penta-1,4-dienyl]-1-[(3E,5Z)-8-methylnona-1,3,5,8-tetraen-4-yl]guanidine?
The canonical SMILES for 2-[(1E)-2-methyl-4-(methylamino)penta-1,4-dienyl]-1-[(3E,5Z)-8-methylnona-1,3,5,8-tetraen-4-yl]guanidine is C=C/C=C(\C=C/CC(=C)C)N/C(N)=N/C=C(\C)CC(=C)NC.
What is the InChIKey of 2-[(1E)-2-methyl-4-(methylamino)penta-1,4-dienyl]-1-[(3E,5Z)-8-methylnona-1,3,5,8-tetraen-4-yl]guanidine?
The InChIKey is QHMXGHAZUJMKTM-HACADMFISA-N. The full InChI is InChI=1S/C18H28N4/c1-7-9-17(11-8-10-14(2)3)22-18(19)21-13-15(4)12-16(5)20-6/h7-9,11,13,20H,1-2,5,10,12H2,3-4,6H3,(H3,19,21,22)/b11-8-,15-13+,17-9+.
What are the key properties of 2-[(1E)-2-methyl-4-(methylamino)penta-1,4-dienyl]-1-[(3E,5Z)-8-methylnona-1,3,5,8-tetraen-4-yl]guanidine?
2-[(1E)-2-methyl-4-(methylamino)penta-1,4-dienyl]-1-[(3E,5Z)-8-methylnona-1,3,5,8-tetraen-4-yl]guanidine has a molecular weight of 300.45 g/mol, XLogP of 3.51, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E)-2-methyl-4-(methylamino)penta-1,4-dienyl]-1-[(3E,5Z)-8-methylnona-1,3,5,8-tetraen-4-yl]guanidine is sourced from PubChem (CID 143590505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).