1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine

C24H52N10 — CID 90672033

IUPAC1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine
SMILESCCCCCC/N=C(\N)N/C(N)=N/CCCCCCCC/N=C(\N)N/C(N)=N/CCCCCC
InChIInChI=1S/C24H52N10/c1-3-5-7-13-17-29-21(25)33-23(27)31-19-15-11-9-10-12-16-20-32-24(28)34-22(26)30-18-14-8-6-4-2/h3-20H2,1-2H3,(H5,25,27,29,31,33)(H5,26,28,30,32,34)
InChIKeyGWVHXQMQYRVLRI-UHFFFAOYSA-N
MW480.75 g/mol
LogP2.93
Rot. Bonds19

About 1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine

1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine (PubChem CID 90672033) has the molecular formula C24H52N10 and a molecular weight of 480.75 g/mol. Its IUPAC name is 1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine.

Molecular Properties

Compound Name1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine
PubChem CID90672033
Molecular FormulaC24H52N10
Molecular Weight480.75 g/mol
Exact Mass480.44
IUPAC Name1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine
SMILESCCCCCC/N=C(\N)N/C(N)=N/CCCCCCCC/N=C(\N)N/C(N)=N/CCCCCC
InChIInChI=1S/C24H52N10/c1-3-5-7-13-17-29-21(25)33-23(27)31-19-15-11-9-10-12-16-20-32-24(28)34-22(26)30-18-14-8-6-4-2/h3-20H2,1-2H3,(H5,25,27,29,31,33)(H5,26,28,30,32,34)
InChIKeyGWVHXQMQYRVLRI-UHFFFAOYSA-N
XLogP2.93
TPSA177.58 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.75
LogP ≤ 52.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine with MolForge

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Related Compounds

1-[N'-[4-[[amino-[(N'-nonylcarbamimidoyl)amino]methylidene]amino]butyl]carbamimidoyl]-2-nonylguanidine
CID 90672025
(N'-hexylcarbamimidoyl)urea
CID 87601330
1-carbamimidoyl-2-hexylguanidine
CID 176518657
1-ethyl-2-nonylguanidine
CID 111034740
1-(N'-hexylcarbamimidoyl)-2-(2,4,4-trimethylpentan-2-yl)guanidine
CID 134103287
2-nonyl-1-propan-2-ylguanidine
CID 111034727
1-[amino-[2-[amino-[(N'-heptylcarbamimidoyl)amino]methylidene]hydrazinyl]methylidene]-2-methylguanidine
CID 176535600
(N'-butylcarbamimidoyl)urea
CID 10975769
1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine;hydrochloride
CID 18968508
1-dodecyl-3-[(N'-dodecylcarbamimidoyl)carbamothioyl]thiourea
CID 2825027
heptan-1-amine;1-(N'-methylcarbamimidoyl)-2-(7-methyloctyl)guanidine
CID 155716609
N'-hexylpropanimidamide
CID 62048653

Frequently Asked Questions

What is the IUPAC name of 1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine?
The IUPAC name of 1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine (CID 90672033) is 1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine.
What is the SMILES notation for 1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine?
The canonical SMILES for 1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine is CCCCCC/N=C(\N)N/C(N)=N/CCCCCCCC/N=C(\N)N/C(N)=N/CCCCCC.
What is the InChIKey of 1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine?
The InChIKey is GWVHXQMQYRVLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52N10/c1-3-5-7-13-17-29-21(25)33-23(27)31-19-15-11-9-10-12-16-20-32-24(28)34-22(26)30-18-14-8-6-4-2/h3-20H2,1-2H3,(H5,25,27,29,31,33)(H5,26,28,30,32,34).
What are the key properties of 1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine?
1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine has a molecular weight of 480.75 g/mol, XLogP of 2.93, 19 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine is sourced from PubChem (CID 90672033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).