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

C9H20ClN5 — CID 89123933

IUPAC1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine;hydrochloride
SMILESCCC/N=C(\N)N/C(N)=N/CC1CC1.Cl
InChIInChI=1S/C9H19N5.ClH/c1-2-5-12-8(10)14-9(11)13-6-7-3-4-7;/h7H,2-6H2,1H3,(H5,10,11,12,13,14);1H
InChIKeyVUYYVEJBFSTLKV-UHFFFAOYSA-N
MW233.75 g/mol
LogP0.45
Rot. Bonds4

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

1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine;hydrochloride (PubChem CID 89123933) has the molecular formula C9H20ClN5 and a molecular weight of 233.75 g/mol. Its IUPAC name is 1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine;hydrochloride.

Molecular Properties

Compound Name1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine;hydrochloride
PubChem CID89123933
Molecular FormulaC9H20ClN5
Molecular Weight233.75 g/mol
Exact Mass233.14
IUPAC Name1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine;hydrochloride
SMILESCCC/N=C(\N)N/C(N)=N/CC1CC1.Cl
InChIInChI=1S/C9H19N5.ClH/c1-2-5-12-8(10)14-9(11)13-6-7-3-4-7;/h7H,2-6H2,1H3,(H5,10,11,12,13,14);1H
InChIKeyVUYYVEJBFSTLKV-UHFFFAOYSA-N
XLogP0.45
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.75
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine;hydrochloride?
The IUPAC name of 1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine;hydrochloride (CID 89123933) is 1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine;hydrochloride.
What is the SMILES notation for 1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine;hydrochloride?
The canonical SMILES for 1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine;hydrochloride is CCC/N=C(\N)N/C(N)=N/CC1CC1.Cl.
What is the InChIKey of 1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine;hydrochloride?
The InChIKey is VUYYVEJBFSTLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5.ClH/c1-2-5-12-8(10)14-9(11)13-6-7-3-4-7;/h7H,2-6H2,1H3,(H5,10,11,12,13,14);1H.
What are the key properties of 1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine;hydrochloride?
1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine;hydrochloride has a molecular weight of 233.75 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine;hydrochloride is sourced from PubChem (CID 89123933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).