2-(N'-cyclohexylcarbamimidoyl)-1-hexyl-1-methylguanidine

C15H31N5 — CID 174660091

IUPAC2-(N'-cyclohexylcarbamimidoyl)-1-hexyl-1-methylguanidine
SMILESCCCCCCN(C)C(N)=N/C(N)=N/C1CCCCC1
InChIInChI=1S/C15H31N5/c1-3-4-5-9-12-20(2)15(17)19-14(16)18-13-10-7-6-8-11-13/h13H,3-12H2,1-2H3,(H4,16,17,18,19)
InChIKeyMXDNLFVDHAINGZ-UHFFFAOYSA-N
MW281.45 g/mol
LogP2.46
Rot. Bonds6

About 2-(N'-cyclohexylcarbamimidoyl)-1-hexyl-1-methylguanidine

2-(N'-cyclohexylcarbamimidoyl)-1-hexyl-1-methylguanidine (PubChem CID 174660091) has the molecular formula C15H31N5 and a molecular weight of 281.45 g/mol. Its IUPAC name is 2-(N'-cyclohexylcarbamimidoyl)-1-hexyl-1-methylguanidine.

Molecular Properties

Compound Name2-(N'-cyclohexylcarbamimidoyl)-1-hexyl-1-methylguanidine
PubChem CID174660091
Molecular FormulaC15H31N5
Molecular Weight281.45 g/mol
Exact Mass281.26
IUPAC Name2-(N'-cyclohexylcarbamimidoyl)-1-hexyl-1-methylguanidine
SMILESCCCCCCN(C)C(N)=N/C(N)=N/C1CCCCC1
InChIInChI=1S/C15H31N5/c1-3-4-5-9-12-20(2)15(17)19-14(16)18-13-10-7-6-8-11-13/h13H,3-12H2,1-2H3,(H4,16,17,18,19)
InChIKeyMXDNLFVDHAINGZ-UHFFFAOYSA-N
XLogP2.46
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

2-cyclohexyl-1-(3-methoxypropyl)-1-methylguanidine
CID 63009383
2-cyclopentyl-1-pentyl-1-propan-2-ylguanidine
CID 62361423
2-cyclohexyl-1-ethyl-1-methylguanidine
CID 18727696
2-carbamimidoyl-1-methyl-1-tridecylguanidine;hydrochloride
CID 176529990
2-tert-butyl-1-methyl-1-pentylguanidine
CID 62359388
1-methyl-2-[N'-[(4-methylphenyl)methyl]carbamimidoyl]-1-octylguanidine;hydrochloride
CID 86657144
2-cyano-1-dodecyl-1-methylguanidine
CID 86121345
2-cyclopropyl-1-pentyl-1-propan-2-ylguanidine
CID 62362135
2-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-1-methyl-1-octylguanidine;dihydrochloride
CID 86657128
N,N-dimethylcyclohexanamine;N-methyl-N-tridecyltridecan-1-amine
CID 159993444
2-cyclohexyl-1-methyl-1-pentan-3-ylguanidine
CID 62362276
2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine
CID 62362498

Frequently Asked Questions

What is the IUPAC name of 2-(N'-cyclohexylcarbamimidoyl)-1-hexyl-1-methylguanidine?
The IUPAC name of 2-(N'-cyclohexylcarbamimidoyl)-1-hexyl-1-methylguanidine (CID 174660091) is 2-(N'-cyclohexylcarbamimidoyl)-1-hexyl-1-methylguanidine.
What is the SMILES notation for 2-(N'-cyclohexylcarbamimidoyl)-1-hexyl-1-methylguanidine?
The canonical SMILES for 2-(N'-cyclohexylcarbamimidoyl)-1-hexyl-1-methylguanidine is CCCCCCN(C)C(N)=N/C(N)=N/C1CCCCC1.
What is the InChIKey of 2-(N'-cyclohexylcarbamimidoyl)-1-hexyl-1-methylguanidine?
The InChIKey is MXDNLFVDHAINGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5/c1-3-4-5-9-12-20(2)15(17)19-14(16)18-13-10-7-6-8-11-13/h13H,3-12H2,1-2H3,(H4,16,17,18,19).
What are the key properties of 2-(N'-cyclohexylcarbamimidoyl)-1-hexyl-1-methylguanidine?
2-(N'-cyclohexylcarbamimidoyl)-1-hexyl-1-methylguanidine has a molecular weight of 281.45 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-cyclohexylcarbamimidoyl)-1-hexyl-1-methylguanidine is sourced from PubChem (CID 174660091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).