1-[2-(diaminomethylideneamino)ethyl]-2-propylguanidine

C7H18N6 — CID 90981022

IUPAC1-[2-(diaminomethylideneamino)ethyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCN=C(N)N
InChIInChI=1S/C7H18N6/c1-2-3-12-7(10)13-5-4-11-6(8)9/h2-5H2,1H3,(H4,8,9,11)(H3,10,12,13)
InChIKeyQHCSIBAHAMJJJQ-UHFFFAOYSA-N
MW186.26 g/mol
LogP-1.43
Rot. Bonds5

About 1-[2-(diaminomethylideneamino)ethyl]-2-propylguanidine

1-[2-(diaminomethylideneamino)ethyl]-2-propylguanidine (PubChem CID 90981022) has the molecular formula C7H18N6 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-[2-(diaminomethylideneamino)ethyl]-2-propylguanidine.

Molecular Properties

Compound Name1-[2-(diaminomethylideneamino)ethyl]-2-propylguanidine
PubChem CID90981022
Molecular FormulaC7H18N6
Molecular Weight186.26 g/mol
Exact Mass186.16
IUPAC Name1-[2-(diaminomethylideneamino)ethyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCN=C(N)N
InChIInChI=1S/C7H18N6/c1-2-3-12-7(10)13-5-4-11-6(8)9/h2-5H2,1H3,(H4,8,9,11)(H3,10,12,13)
InChIKeyQHCSIBAHAMJJJQ-UHFFFAOYSA-N
XLogP-1.43
TPSA114.81 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-1.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diaminomethylideneamino)ethyl]-2-propylguanidine?
The IUPAC name of 1-[2-(diaminomethylideneamino)ethyl]-2-propylguanidine (CID 90981022) is 1-[2-(diaminomethylideneamino)ethyl]-2-propylguanidine.
What is the SMILES notation for 1-[2-(diaminomethylideneamino)ethyl]-2-propylguanidine?
The canonical SMILES for 1-[2-(diaminomethylideneamino)ethyl]-2-propylguanidine is CCC/N=C(\N)NCCN=C(N)N.
What is the InChIKey of 1-[2-(diaminomethylideneamino)ethyl]-2-propylguanidine?
The InChIKey is QHCSIBAHAMJJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N6/c1-2-3-12-7(10)13-5-4-11-6(8)9/h2-5H2,1H3,(H4,8,9,11)(H3,10,12,13).
What are the key properties of 1-[2-(diaminomethylideneamino)ethyl]-2-propylguanidine?
1-[2-(diaminomethylideneamino)ethyl]-2-propylguanidine has a molecular weight of 186.26 g/mol, XLogP of -1.43, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diaminomethylideneamino)ethyl]-2-propylguanidine is sourced from PubChem (CID 90981022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).