1-amino-3-[3-(diethylamino)propyl]-2-(2-methylpropyl)guanidine

C12H29N5 — CID 104883067

IUPAC1-amino-3-[3-(diethylamino)propyl]-2-(2-methylpropyl)guanidine
SMILESCCN(CC)CCCN/C(=N\CC(C)C)NN
InChIInChI=1S/C12H29N5/c1-5-17(6-2)9-7-8-14-12(16-13)15-10-11(3)4/h11H,5-10,13H2,1-4H3,(H2,14,15,16)
InChIKeyXAEWGTPTABIUEX-UHFFFAOYSA-N
MW243.40 g/mol
LogP0.78
Rot. Bonds8

About 1-amino-3-[3-(diethylamino)propyl]-2-(2-methylpropyl)guanidine

1-amino-3-[3-(diethylamino)propyl]-2-(2-methylpropyl)guanidine (PubChem CID 104883067) has the molecular formula C12H29N5 and a molecular weight of 243.40 g/mol. Its IUPAC name is 1-amino-3-[3-(diethylamino)propyl]-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-[3-(diethylamino)propyl]-2-(2-methylpropyl)guanidine
PubChem CID104883067
Molecular FormulaC12H29N5
Molecular Weight243.40 g/mol
Exact Mass243.24
IUPAC Name1-amino-3-[3-(diethylamino)propyl]-2-(2-methylpropyl)guanidine
SMILESCCN(CC)CCCN/C(=N\CC(C)C)NN
InChIInChI=1S/C12H29N5/c1-5-17(6-2)9-7-8-14-12(16-13)15-10-11(3)4/h11H,5-10,13H2,1-4H3,(H2,14,15,16)
InChIKeyXAEWGTPTABIUEX-UHFFFAOYSA-N
XLogP0.78
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-amino-3-butyl-2-(2-methylpropyl)guanidine
CID 104882833
1-amino-3-(3-methylbutyl)-2-(2-methylpropyl)guanidine
CID 104882994
1-[2-(diethylamino)ethyl]-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111180876
1-amino-3-[3-(diethylamino)propyl]-2-(3-ethoxypropyl)guanidine
CID 104883061
1-[3-(diethylamino)propyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943172
1-[4-(diethylamino)butyl]-3-ethyl-2-(2-ethylbutyl)guanidine;hydroiodide
CID 111891560
1-amino-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)guanidine
CID 104888824
1-ethyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2-methylpropyl)guanidine
CID 111180349
N-[2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 104888724
1-amino-2-[2-(dimethylamino)propyl]-3-propylguanidine
CID 104885007
1-[4-(diethylamino)butyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine
CID 111691494
1-[4-(diethylamino)butyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111178109

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-(diethylamino)propyl]-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-amino-3-[3-(diethylamino)propyl]-2-(2-methylpropyl)guanidine (CID 104883067) is 1-amino-3-[3-(diethylamino)propyl]-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-amino-3-[3-(diethylamino)propyl]-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-amino-3-[3-(diethylamino)propyl]-2-(2-methylpropyl)guanidine is CCN(CC)CCCN/C(=N\CC(C)C)NN.
What is the InChIKey of 1-amino-3-[3-(diethylamino)propyl]-2-(2-methylpropyl)guanidine?
The InChIKey is XAEWGTPTABIUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N5/c1-5-17(6-2)9-7-8-14-12(16-13)15-10-11(3)4/h11H,5-10,13H2,1-4H3,(H2,14,15,16).
What are the key properties of 1-amino-3-[3-(diethylamino)propyl]-2-(2-methylpropyl)guanidine?
1-amino-3-[3-(diethylamino)propyl]-2-(2-methylpropyl)guanidine has a molecular weight of 243.40 g/mol, XLogP of 0.78, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-(diethylamino)propyl]-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 104883067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).