2-[2-(1-aminoethylamino)ethyl]guanidine

C5H15N5 — CID 174332333

IUPAC2-[2-(1-aminoethylamino)ethyl]guanidine
SMILESCC(N)NCCN=C(N)N
InChIInChI=1S/C5H15N5/c1-4(6)9-2-3-10-5(7)8/h4,9H,2-3,6H2,1H3,(H4,7,8,10)
InChIKeyWTQHYBRZPOAVDO-UHFFFAOYSA-N
MW145.21 g/mol
LogP-1.85
Rot. Bonds4

About 2-[2-(1-aminoethylamino)ethyl]guanidine

2-[2-(1-aminoethylamino)ethyl]guanidine (PubChem CID 174332333) has the molecular formula C5H15N5 and a molecular weight of 145.21 g/mol. Its IUPAC name is 2-[2-(1-aminoethylamino)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(1-aminoethylamino)ethyl]guanidine
PubChem CID174332333
Molecular FormulaC5H15N5
Molecular Weight145.21 g/mol
Exact Mass145.13
IUPAC Name2-[2-(1-aminoethylamino)ethyl]guanidine
SMILESCC(N)NCCN=C(N)N
InChIInChI=1S/C5H15N5/c1-4(6)9-2-3-10-5(7)8/h4,9H,2-3,6H2,1H3,(H4,7,8,10)
InChIKeyWTQHYBRZPOAVDO-UHFFFAOYSA-N
XLogP-1.85
TPSA102.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-1.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine;dihydrochloride
CID 56843687
(2R)-2-[2-(diaminomethylideneamino)ethylamino]-3-sulfanylpropanoic acid
CID 87452951
2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
2-(3,5-diamino-4-oxohexyl)guanidine
CID 91251591
2-[(4R)-4-(methylamino)pentyl]guanidine
CID 59032682
ethane;2-(4-methylpentyl)guanidine
CID 170602256
2-[2-[2-(2-aminoethylamino)ethylamino]ethyl]guanidine
CID 11355939
N-[3-(diaminomethylideneamino)propyl]-2-methylbutanamide
CID 59360329
2-[(3R,4R)-4-amino-3-methyl-5-oxohexyl]guanidine
CID 134551000
2-(5-amino-4-oxohexyl)guanidine
CID 91573450
1-N'-pentylethane-1,1-diamine
CID 87708859
(2S)-5-(diaminomethylideneamino)-2-(pentylamino)pentanoic acid
CID 87921702

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethylamino)ethyl]guanidine?
The IUPAC name of 2-[2-(1-aminoethylamino)ethyl]guanidine (CID 174332333) is 2-[2-(1-aminoethylamino)ethyl]guanidine.
What is the SMILES notation for 2-[2-(1-aminoethylamino)ethyl]guanidine?
The canonical SMILES for 2-[2-(1-aminoethylamino)ethyl]guanidine is CC(N)NCCN=C(N)N.
What is the InChIKey of 2-[2-(1-aminoethylamino)ethyl]guanidine?
The InChIKey is WTQHYBRZPOAVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N5/c1-4(6)9-2-3-10-5(7)8/h4,9H,2-3,6H2,1H3,(H4,7,8,10).
What are the key properties of 2-[2-(1-aminoethylamino)ethyl]guanidine?
2-[2-(1-aminoethylamino)ethyl]guanidine has a molecular weight of 145.21 g/mol, XLogP of -1.85, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethylamino)ethyl]guanidine is sourced from PubChem (CID 174332333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).