2-carbamimidoyl-1,1-dicyclohexylguanidine;hydrochloride

C14H28ClN5 — CID 176518473

IUPAC2-carbamimidoyl-1,1-dicyclohexylguanidine;hydrochloride
SMILESCl.[H]/N=C(N)/N=C(\N)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H27N5.ClH/c15-13(16)18-14(17)19(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h11-12H,1-10H2,(H5,15,16,17,18);1H
InChIKeyCQHLKFDYLWCQES-UHFFFAOYSA-N
MW301.87 g/mol
LogP2.58
Rot. Bonds2

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

2-carbamimidoyl-1,1-dicyclohexylguanidine;hydrochloride (PubChem CID 176518473) has the molecular formula C14H28ClN5 and a molecular weight of 301.87 g/mol. Its IUPAC name is 2-carbamimidoyl-1,1-dicyclohexylguanidine;hydrochloride.

Molecular Properties

Compound Name2-carbamimidoyl-1,1-dicyclohexylguanidine;hydrochloride
PubChem CID176518473
Molecular FormulaC14H28ClN5
Molecular Weight301.87 g/mol
Exact Mass301.20
IUPAC Name2-carbamimidoyl-1,1-dicyclohexylguanidine;hydrochloride
SMILESCl.[H]/N=C(N)/N=C(\N)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H27N5.ClH/c15-13(16)18-14(17)19(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h11-12H,1-10H2,(H5,15,16,17,18);1H
InChIKeyCQHLKFDYLWCQES-UHFFFAOYSA-N
XLogP2.58
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.87
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-carbamimidoyl-1-cyclohexyl-1-methylguanidine;hydrochloride
CID 176518469
1,1-dicyclopentylguanidine
CID 19841614
2-carbamimidoyl-1-(cyclopentylmethyl)-1-methylguanidine
CID 176547026
1,1-dicyclopentyl-2-methylguanidine
CID 68865580
1-cyclohexyl-3-(diaminomethylidene)-1-ethylguanidine
CID 18769868
2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride
CID 176525900
1-amino-1-cyclohexylguanidine
CID 140973086
1,1-dicyclohexyl-2-piperidin-1-ylguanidine
CID 67195280
2-carbamimidoyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine
CID 176546751
2-carbamimidoyl-1,1-bis(trideuteriomethyl)guanidine;hydrochloride
CID 176516996
2-carbamimidoyl-1,1-bis(trideuteriomethyl)guanidine;hydrochloride
CID 176525164
N'-carbamimidoyl-3-(dimethylamino)piperidine-1-carboximidamide
CID 176547017

Frequently Asked Questions

What is the IUPAC name of 2-carbamimidoyl-1,1-dicyclohexylguanidine;hydrochloride?
The IUPAC name of 2-carbamimidoyl-1,1-dicyclohexylguanidine;hydrochloride (CID 176518473) is 2-carbamimidoyl-1,1-dicyclohexylguanidine;hydrochloride.
What is the SMILES notation for 2-carbamimidoyl-1,1-dicyclohexylguanidine;hydrochloride?
The canonical SMILES for 2-carbamimidoyl-1,1-dicyclohexylguanidine;hydrochloride is Cl.[H]/N=C(N)/N=C(\N)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-carbamimidoyl-1,1-dicyclohexylguanidine;hydrochloride?
The InChIKey is CQHLKFDYLWCQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5.ClH/c15-13(16)18-14(17)19(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h11-12H,1-10H2,(H5,15,16,17,18);1H.
What are the key properties of 2-carbamimidoyl-1,1-dicyclohexylguanidine;hydrochloride?
2-carbamimidoyl-1,1-dicyclohexylguanidine;hydrochloride has a molecular weight of 301.87 g/mol, XLogP of 2.58, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamimidoyl-1,1-dicyclohexylguanidine;hydrochloride is sourced from PubChem (CID 176518473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).