2-carbamimidoyl-1,1-dihexylguanidine;hydrochloride

C14H32ClN5 — CID 176518115

IUPAC2-carbamimidoyl-1,1-dihexylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N=C(N)N(CCCCCC)CCCCCC
InChIInChI=1S/C14H31N5.ClH/c1-3-5-7-9-11-19(12-10-8-6-4-2)14(17)18-13(15)16;/h3-12H2,1-2H3,(H5,15,16,17,18);1H
InChIKeyBNMIXGCZRNUFBJ-UHFFFAOYSA-N
MW305.90 g/mol
LogP3.08
Rot. Bonds10

About 2-carbamimidoyl-1,1-dihexylguanidine;hydrochloride

2-carbamimidoyl-1,1-dihexylguanidine;hydrochloride (PubChem CID 176518115) has the molecular formula C14H32ClN5 and a molecular weight of 305.90 g/mol. Its IUPAC name is 2-carbamimidoyl-1,1-dihexylguanidine;hydrochloride.

Molecular Properties

Compound Name2-carbamimidoyl-1,1-dihexylguanidine;hydrochloride
PubChem CID176518115
Molecular FormulaC14H32ClN5
Molecular Weight305.90 g/mol
Exact Mass305.23
IUPAC Name2-carbamimidoyl-1,1-dihexylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N=C(N)N(CCCCCC)CCCCCC
InChIInChI=1S/C14H31N5.ClH/c1-3-5-7-9-11-19(12-10-8-6-4-2)14(17)18-13(15)16;/h3-12H2,1-2H3,(H5,15,16,17,18);1H
InChIKeyBNMIXGCZRNUFBJ-UHFFFAOYSA-N
XLogP3.08
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.90
LogP ≤ 53.08
H-Bond Donors ≤ 53
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-carbamimidoyl-1,1-dipentylguanidine;hydrochloride
CID 176530565
2-carbamimidoyl-1-methyl-1-tridecylguanidine;hydrochloride
CID 176529990
2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride
CID 176546682
1-dodecyl-1-pentylguanidine
CID 88762865
1,1-didodecylguanidine
CID 23103902
2-carbamimidoyl-1-cuban-1-yl-1-hexylguanidine
CID 176528162
2-carbamimidoyl-1,1-dimethylguanidine;dodecanoic acid
CID 176517010
3-(diaminomethylidene)-1-methyl-1-tridecylguanidine;hydrochloride
CID 86657167
2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride
CID 176531718
CID 22121637
CID 22121637
acetic acid;1,1-dioctylguanidine
CID 71338115
1-tert-butyl-2-carbamimidoyl-1-propylguanidine
CID 176525603

Frequently Asked Questions

What is the IUPAC name of 2-carbamimidoyl-1,1-dihexylguanidine;hydrochloride?
The IUPAC name of 2-carbamimidoyl-1,1-dihexylguanidine;hydrochloride (CID 176518115) is 2-carbamimidoyl-1,1-dihexylguanidine;hydrochloride.
What is the SMILES notation for 2-carbamimidoyl-1,1-dihexylguanidine;hydrochloride?
The canonical SMILES for 2-carbamimidoyl-1,1-dihexylguanidine;hydrochloride is Cl.[H]/N=C(\N)N=C(N)N(CCCCCC)CCCCCC.
What is the InChIKey of 2-carbamimidoyl-1,1-dihexylguanidine;hydrochloride?
The InChIKey is BNMIXGCZRNUFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N5.ClH/c1-3-5-7-9-11-19(12-10-8-6-4-2)14(17)18-13(15)16;/h3-12H2,1-2H3,(H5,15,16,17,18);1H.
What are the key properties of 2-carbamimidoyl-1,1-dihexylguanidine;hydrochloride?
2-carbamimidoyl-1,1-dihexylguanidine;hydrochloride has a molecular weight of 305.90 g/mol, XLogP of 3.08, 10 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamimidoyl-1,1-dihexylguanidine;hydrochloride is sourced from PubChem (CID 176518115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).