1-(3-aminopropyl)-1-ethylguanidine

C6H16N4 — CID 23337728

IUPAC1-(3-aminopropyl)-1-ethylguanidine
SMILES[H]/N=C(\N)N(CC)CCCN
InChIInChI=1S/C6H16N4/c1-2-10(6(8)9)5-3-4-7/h2-5,7H2,1H3,(H3,8,9)
InChIKeySFKXSTJTEVDGMT-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.45
Rot. Bonds4

About 1-(3-aminopropyl)-1-ethylguanidine

1-(3-aminopropyl)-1-ethylguanidine (PubChem CID 23337728) has the molecular formula C6H16N4 and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-(3-aminopropyl)-1-ethylguanidine.

Molecular Properties

Compound Name1-(3-aminopropyl)-1-ethylguanidine
PubChem CID23337728
Molecular FormulaC6H16N4
Molecular Weight144.22 g/mol
Exact Mass144.14
IUPAC Name1-(3-aminopropyl)-1-ethylguanidine
SMILES[H]/N=C(\N)N(CC)CCCN
InChIInChI=1S/C6H16N4/c1-2-10(6(8)9)5-3-4-7/h2-5,7H2,1H3,(H3,8,9)
InChIKeySFKXSTJTEVDGMT-UHFFFAOYSA-N
XLogP-0.45
TPSA79.13 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 ≤ 5-0.45
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-(3-aminopropyl)-1-ethylguanidine?
The IUPAC name of 1-(3-aminopropyl)-1-ethylguanidine (CID 23337728) is 1-(3-aminopropyl)-1-ethylguanidine.
What is the SMILES notation for 1-(3-aminopropyl)-1-ethylguanidine?
The canonical SMILES for 1-(3-aminopropyl)-1-ethylguanidine is [H]/N=C(\N)N(CC)CCCN.
What is the InChIKey of 1-(3-aminopropyl)-1-ethylguanidine?
The InChIKey is SFKXSTJTEVDGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4/c1-2-10(6(8)9)5-3-4-7/h2-5,7H2,1H3,(H3,8,9).
What are the key properties of 1-(3-aminopropyl)-1-ethylguanidine?
1-(3-aminopropyl)-1-ethylguanidine has a molecular weight of 144.22 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-(3-aminopropyl)-1-ethylguanidine is sourced from PubChem (CID 23337728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).