2-[2-(propan-2-ylamino)ethyl]guanidine

C6H16N4 — CID 23518694

IUPAC2-[2-(propan-2-ylamino)ethyl]guanidine
SMILESCC(C)NCCN=C(N)N
InChIInChI=1S/C6H16N4/c1-5(2)9-3-4-10-6(7)8/h5,9H,3-4H2,1-2H3,(H4,7,8,10)
InChIKeyLRSRERMXAPCOST-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.74
Rot. Bonds4

About 2-[2-(propan-2-ylamino)ethyl]guanidine

2-[2-(propan-2-ylamino)ethyl]guanidine (PubChem CID 23518694) has the molecular formula C6H16N4 and a molecular weight of 144.22 g/mol. Its IUPAC name is 2-[2-(propan-2-ylamino)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(propan-2-ylamino)ethyl]guanidine
PubChem CID23518694
Molecular FormulaC6H16N4
Molecular Weight144.22 g/mol
Exact Mass144.14
IUPAC Name2-[2-(propan-2-ylamino)ethyl]guanidine
SMILESCC(C)NCCN=C(N)N
InChIInChI=1S/C6H16N4/c1-5(2)9-3-4-10-6(7)8/h5,9H,3-4H2,1-2H3,(H4,7,8,10)
InChIKeyLRSRERMXAPCOST-UHFFFAOYSA-N
XLogP-0.74
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.74
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 2-[2-(propan-2-ylamino)ethyl]guanidine?
The IUPAC name of 2-[2-(propan-2-ylamino)ethyl]guanidine (CID 23518694) is 2-[2-(propan-2-ylamino)ethyl]guanidine.
What is the SMILES notation for 2-[2-(propan-2-ylamino)ethyl]guanidine?
The canonical SMILES for 2-[2-(propan-2-ylamino)ethyl]guanidine is CC(C)NCCN=C(N)N.
What is the InChIKey of 2-[2-(propan-2-ylamino)ethyl]guanidine?
The InChIKey is LRSRERMXAPCOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4/c1-5(2)9-3-4-10-6(7)8/h5,9H,3-4H2,1-2H3,(H4,7,8,10).
What are the key properties of 2-[2-(propan-2-ylamino)ethyl]guanidine?
2-[2-(propan-2-ylamino)ethyl]guanidine has a molecular weight of 144.22 g/mol, XLogP of -0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propan-2-ylamino)ethyl]guanidine is sourced from PubChem (CID 23518694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).