2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride

C8H18ClN5 — CID 140599396

IUPAC2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride
SMILESCN(C)/C(N)=N\C(N)=N\CC1CC1.Cl
InChIInChI=1S/C8H17N5.ClH/c1-13(2)8(10)12-7(9)11-5-6-3-4-6;/h6H,3-5H2,1-2H3,(H4,9,10,11,12);1H
InChIKeyUKBLMPNYCCEXOJ-UHFFFAOYSA-N
MW219.72 g/mol
LogP0.01
Rot. Bonds2

About 2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride

2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride (PubChem CID 140599396) has the molecular formula C8H18ClN5 and a molecular weight of 219.72 g/mol. Its IUPAC name is 2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride.

Molecular Properties

Compound Name2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride
PubChem CID140599396
Molecular FormulaC8H18ClN5
Molecular Weight219.72 g/mol
Exact Mass219.13
IUPAC Name2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride
SMILESCN(C)/C(N)=N\C(N)=N\CC1CC1.Cl
InChIInChI=1S/C8H17N5.ClH/c1-13(2)8(10)12-7(9)11-5-6-3-4-6;/h6H,3-5H2,1-2H3,(H4,9,10,11,12);1H
InChIKeyUKBLMPNYCCEXOJ-UHFFFAOYSA-N
XLogP0.01
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 50.01
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride?
The IUPAC name of 2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride (CID 140599396) is 2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride.
What is the SMILES notation for 2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride?
The canonical SMILES for 2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride is CN(C)/C(N)=N\C(N)=N\CC1CC1.Cl.
What is the InChIKey of 2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride?
The InChIKey is UKBLMPNYCCEXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5.ClH/c1-13(2)8(10)12-7(9)11-5-6-3-4-6;/h6H,3-5H2,1-2H3,(H4,9,10,11,12);1H.
What are the key properties of 2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride?
2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride has a molecular weight of 219.72 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride is sourced from PubChem (CID 140599396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).