2-[3-(2-amino-1H-imidazol-5-yl)propyl]guanidine

C7H14N6 — CID 20647860

IUPAC2-[3-(2-amino-1H-imidazol-5-yl)propyl]guanidine
SMILESNC(N)=NCCCc1cnc(N)[nH]1
InChIInChI=1S/C7H14N6/c8-6(9)11-3-1-2-5-4-12-7(10)13-5/h4H,1-3H2,(H4,8,9,11)(H3,10,12,13)
InChIKeyTZZUJYFSCIBONO-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.80
Rot. Bonds4

About 2-[3-(2-amino-1H-imidazol-5-yl)propyl]guanidine

2-[3-(2-amino-1H-imidazol-5-yl)propyl]guanidine (PubChem CID 20647860) has the molecular formula C7H14N6 and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-[3-(2-amino-1H-imidazol-5-yl)propyl]guanidine.

Molecular Properties

Compound Name2-[3-(2-amino-1H-imidazol-5-yl)propyl]guanidine
PubChem CID20647860
Molecular FormulaC7H14N6
Molecular Weight182.23 g/mol
Exact Mass182.13
IUPAC Name2-[3-(2-amino-1H-imidazol-5-yl)propyl]guanidine
SMILESNC(N)=NCCCc1cnc(N)[nH]1
InChIInChI=1S/C7H14N6/c8-6(9)11-3-1-2-5-4-12-7(10)13-5/h4H,1-3H2,(H4,8,9,11)(H3,10,12,13)
InChIKeyTZZUJYFSCIBONO-UHFFFAOYSA-N
XLogP-0.80
TPSA119.10 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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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Related Compounds

Histamine
CID 774
4-Methylimidazole
CID 13195
Histamine Dihydrochloride
CID 5818
2-Ethyl-4-methylimidazole
CID 70262
Burimamide
CID 3032915
N,N-Dimethyl-1H-imidazole-4-ethanamine
CID 12656
2-(1H-Imidazol-5-yl)ethyl carbamimidothioate
CID 3692
Histamine Hydrochloride
CID 120160
2-(1H-Imidazol-5-yl)ethan-1-aminium
CID 25201573
N(alpha)-methylhistamine
CID 912
alpha-Methyl-1H-imidazole-5-ethanamine
CID 3615
Immepip
CID 3035842

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-amino-1H-imidazol-5-yl)propyl]guanidine?
The IUPAC name of 2-[3-(2-amino-1H-imidazol-5-yl)propyl]guanidine (CID 20647860) is 2-[3-(2-amino-1H-imidazol-5-yl)propyl]guanidine.
What is the SMILES notation for 2-[3-(2-amino-1H-imidazol-5-yl)propyl]guanidine?
The canonical SMILES for 2-[3-(2-amino-1H-imidazol-5-yl)propyl]guanidine is NC(N)=NCCCc1cnc(N)[nH]1.
What is the InChIKey of 2-[3-(2-amino-1H-imidazol-5-yl)propyl]guanidine?
The InChIKey is TZZUJYFSCIBONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6/c8-6(9)11-3-1-2-5-4-12-7(10)13-5/h4H,1-3H2,(H4,8,9,11)(H3,10,12,13).
What are the key properties of 2-[3-(2-amino-1H-imidazol-5-yl)propyl]guanidine?
2-[3-(2-amino-1H-imidazol-5-yl)propyl]guanidine has a molecular weight of 182.23 g/mol, XLogP of -0.80, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-amino-1H-imidazol-5-yl)propyl]guanidine is sourced from PubChem (CID 20647860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).