1-(diaminomethylidene)-2-[3-(diethylamino)propyl]guanidine

C9H22N6 — CID 11971281

IUPAC1-(diaminomethylidene)-2-[3-(diethylamino)propyl]guanidine
SMILESCCN(CC)CCC/N=C(\N)N=C(N)N
InChIInChI=1S/C9H22N6/c1-3-15(4-2)7-5-6-13-9(12)14-8(10)11/h3-7H2,1-2H3,(H6,10,11,12,13,14)
InChIKeySARCHYUZLAKKFI-UHFFFAOYSA-N
MW214.32 g/mol
LogP-0.69
Rot. Bonds6

About 1-(diaminomethylidene)-2-[3-(diethylamino)propyl]guanidine

1-(diaminomethylidene)-2-[3-(diethylamino)propyl]guanidine (PubChem CID 11971281) has the molecular formula C9H22N6 and a molecular weight of 214.32 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[3-(diethylamino)propyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[3-(diethylamino)propyl]guanidine
PubChem CID11971281
Molecular FormulaC9H22N6
Molecular Weight214.32 g/mol
Exact Mass214.19
IUPAC Name1-(diaminomethylidene)-2-[3-(diethylamino)propyl]guanidine
SMILESCCN(CC)CCC/N=C(\N)N=C(N)N
InChIInChI=1S/C9H22N6/c1-3-15(4-2)7-5-6-13-9(12)14-8(10)11/h3-7H2,1-2H3,(H6,10,11,12,13,14)
InChIKeySARCHYUZLAKKFI-UHFFFAOYSA-N
XLogP-0.69
TPSA106.02 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
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-(diaminomethylidene)-2-[3-(diethylamino)propyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[3-(diethylamino)propyl]guanidine (CID 11971281) is 1-(diaminomethylidene)-2-[3-(diethylamino)propyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[3-(diethylamino)propyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[3-(diethylamino)propyl]guanidine is CCN(CC)CCC/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-[3-(diethylamino)propyl]guanidine?
The InChIKey is SARCHYUZLAKKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N6/c1-3-15(4-2)7-5-6-13-9(12)14-8(10)11/h3-7H2,1-2H3,(H6,10,11,12,13,14).
What are the key properties of 1-(diaminomethylidene)-2-[3-(diethylamino)propyl]guanidine?
1-(diaminomethylidene)-2-[3-(diethylamino)propyl]guanidine has a molecular weight of 214.32 g/mol, XLogP of -0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[3-(diethylamino)propyl]guanidine is sourced from PubChem (CID 11971281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).