1,2,3-triamino-1-(3-aminopropyl)guanidine

C4H15N7 — CID 155130453

IUPAC1,2,3-triamino-1-(3-aminopropyl)guanidine
SMILESNCCCN(N)/C(=N/N)NN
InChIInChI=1S/C4H15N7/c5-2-1-3-11(8)4(9-6)10-7/h1-3,5-8H2,(H,9,10)
InChIKeyDWCUHWOLHMJJDS-UHFFFAOYSA-N
MW161.21 g/mol
LogP-2.80
Rot. Bonds3

About 1,2,3-triamino-1-(3-aminopropyl)guanidine

1,2,3-triamino-1-(3-aminopropyl)guanidine (PubChem CID 155130453) has the molecular formula C4H15N7 and a molecular weight of 161.21 g/mol. Its IUPAC name is 1,2,3-triamino-1-(3-aminopropyl)guanidine.

Molecular Properties

Compound Name1,2,3-triamino-1-(3-aminopropyl)guanidine
PubChem CID155130453
Molecular FormulaC4H15N7
Molecular Weight161.21 g/mol
Exact Mass161.14
IUPAC Name1,2,3-triamino-1-(3-aminopropyl)guanidine
SMILESNCCCN(N)/C(=N/N)NN
InChIInChI=1S/C4H15N7/c5-2-1-3-11(8)4(9-6)10-7/h1-3,5-8H2,(H,9,10)
InChIKeyDWCUHWOLHMJJDS-UHFFFAOYSA-N
XLogP-2.80
TPSA131.71 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 5-2.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2,3-triamino-1-prop-2-ynylguanidine
CID 155130421
1,3-diamino-1-(3-aminopropyl)-3-ethylurea
CID 159857714
3-[3-aminopropyl(methyl)amino]propan-1-ol
CID 45088131
aminocarbamothioic S-acid;amino(pentyl)carbamothioic S-acid
CID 87290323
3-amino-1-butyl-1-ethyl-2-propylguanidine
CID 104883414
N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
CID 13307740
azane;butane-1,4-diamine
CID 87378889
1-amino-2-(3-aminopropyl)guanidine
CID 130567724
(Z)-[bis(3-aminopropyl)amino]-hydroxy-hydroxyiminoazanium
CID 136609317
3-amino-2-(3-ethoxypropyl)-1-methyl-1-propylguanidine
CID 104883516
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)
CID 145273852
2-[bis(3-aminopropyl)amino]ethanol
CID 19359070

Frequently Asked Questions

What is the IUPAC name of 1,2,3-triamino-1-(3-aminopropyl)guanidine?
The IUPAC name of 1,2,3-triamino-1-(3-aminopropyl)guanidine (CID 155130453) is 1,2,3-triamino-1-(3-aminopropyl)guanidine.
What is the SMILES notation for 1,2,3-triamino-1-(3-aminopropyl)guanidine?
The canonical SMILES for 1,2,3-triamino-1-(3-aminopropyl)guanidine is NCCCN(N)/C(=N/N)NN.
What is the InChIKey of 1,2,3-triamino-1-(3-aminopropyl)guanidine?
The InChIKey is DWCUHWOLHMJJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H15N7/c5-2-1-3-11(8)4(9-6)10-7/h1-3,5-8H2,(H,9,10).
What are the key properties of 1,2,3-triamino-1-(3-aminopropyl)guanidine?
1,2,3-triamino-1-(3-aminopropyl)guanidine has a molecular weight of 161.21 g/mol, XLogP of -2.80, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triamino-1-(3-aminopropyl)guanidine is sourced from PubChem (CID 155130453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).