2-(3-aminopropyl)-1-[N'-(3-aminopropyl)carbamimidoyl]guanidine

C8H21N7 — CID 150669227

IUPAC2-(3-aminopropyl)-1-[N'-(3-aminopropyl)carbamimidoyl]guanidine
SMILESNCCC/N=C(\N)N/C(N)=N/CCCN
InChIInChI=1S/C8H21N7/c9-3-1-5-13-7(11)15-8(12)14-6-2-4-10/h1-6,9-10H2,(H5,11,12,13,14,15)
InChIKeyJFNKLDKEVVQPLC-UHFFFAOYSA-N
MW215.30 g/mol
LogP-2.10
Rot. Bonds6

About 2-(3-aminopropyl)-1-[N'-(3-aminopropyl)carbamimidoyl]guanidine

2-(3-aminopropyl)-1-[N'-(3-aminopropyl)carbamimidoyl]guanidine (PubChem CID 150669227) has the molecular formula C8H21N7 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(3-aminopropyl)-1-[N'-(3-aminopropyl)carbamimidoyl]guanidine.

Molecular Properties

Compound Name2-(3-aminopropyl)-1-[N'-(3-aminopropyl)carbamimidoyl]guanidine
PubChem CID150669227
Molecular FormulaC8H21N7
Molecular Weight215.30 g/mol
Exact Mass215.19
IUPAC Name2-(3-aminopropyl)-1-[N'-(3-aminopropyl)carbamimidoyl]guanidine
SMILESNCCC/N=C(\N)N/C(N)=N/CCCN
InChIInChI=1S/C8H21N7/c9-3-1-5-13-7(11)15-8(12)14-6-2-4-10/h1-6,9-10H2,(H5,11,12,13,14,15)
InChIKeyJFNKLDKEVVQPLC-UHFFFAOYSA-N
XLogP-2.10
TPSA140.83 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-2.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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

1-amino-2-(3-aminopropyl)guanidine
CID 130567724
1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine
CID 90672033
1-[N'-[4-[[amino-[(N'-nonylcarbamimidoyl)amino]methylidene]amino]butyl]carbamimidoyl]-2-nonylguanidine
CID 90672025
benzyl N-[N'-(3-aminopropyl)carbamimidoyl]carbamate
CID 15308290
heptan-1-amine;1-(N'-methylcarbamimidoyl)-2-(7-methyloctyl)guanidine
CID 155716609
1-[N'-(6-aminohexyl)carbamimidoyl]-2-(9-cyano-8-iminononyl)guanidine
CID 158684946
2-(4-aminobutyl)guanidine
CID 22560045
1-[N'-(4,4-dimethylpentyl)carbamimidoyl]-2-propylguanidine
CID 129026582
2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
CID 176524022
(N'-butylcarbamimidoyl)urea
CID 10975769
N-[N'-(3-aminopropyl)carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride
CID 70216346
ethene;methane;2-propyl-1-(N'-propylcarbamimidoyl)guanidine;vanadium
CID 158727971

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-1-[N'-(3-aminopropyl)carbamimidoyl]guanidine?
The IUPAC name of 2-(3-aminopropyl)-1-[N'-(3-aminopropyl)carbamimidoyl]guanidine (CID 150669227) is 2-(3-aminopropyl)-1-[N'-(3-aminopropyl)carbamimidoyl]guanidine.
What is the SMILES notation for 2-(3-aminopropyl)-1-[N'-(3-aminopropyl)carbamimidoyl]guanidine?
The canonical SMILES for 2-(3-aminopropyl)-1-[N'-(3-aminopropyl)carbamimidoyl]guanidine is NCCC/N=C(\N)N/C(N)=N/CCCN.
What is the InChIKey of 2-(3-aminopropyl)-1-[N'-(3-aminopropyl)carbamimidoyl]guanidine?
The InChIKey is JFNKLDKEVVQPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N7/c9-3-1-5-13-7(11)15-8(12)14-6-2-4-10/h1-6,9-10H2,(H5,11,12,13,14,15).
What are the key properties of 2-(3-aminopropyl)-1-[N'-(3-aminopropyl)carbamimidoyl]guanidine?
2-(3-aminopropyl)-1-[N'-(3-aminopropyl)carbamimidoyl]guanidine has a molecular weight of 215.30 g/mol, XLogP of -2.10, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-1-[N'-(3-aminopropyl)carbamimidoyl]guanidine is sourced from PubChem (CID 150669227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).