1-amino-2-butyl-3-[4-(dimethylamino)butan-2-yl]guanidine

C11H27N5 — CID 104885244

IUPAC1-amino-2-butyl-3-[4-(dimethylamino)butan-2-yl]guanidine
SMILESCCCC/N=C(\NN)NC(C)CCN(C)C
InChIInChI=1S/C11H27N5/c1-5-6-8-13-11(15-12)14-10(2)7-9-16(3)4/h10H,5-9,12H2,1-4H3,(H2,13,14,15)
InChIKeyPVTLUFIPXSJVNJ-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.54
Rot. Bonds7

About 1-amino-2-butyl-3-[4-(dimethylamino)butan-2-yl]guanidine

1-amino-2-butyl-3-[4-(dimethylamino)butan-2-yl]guanidine (PubChem CID 104885244) has the molecular formula C11H27N5 and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-amino-2-butyl-3-[4-(dimethylamino)butan-2-yl]guanidine.

Molecular Properties

Compound Name1-amino-2-butyl-3-[4-(dimethylamino)butan-2-yl]guanidine
PubChem CID104885244
Molecular FormulaC11H27N5
Molecular Weight229.37 g/mol
Exact Mass229.23
IUPAC Name1-amino-2-butyl-3-[4-(dimethylamino)butan-2-yl]guanidine
SMILESCCCC/N=C(\NN)NC(C)CCN(C)C
InChIInChI=1S/C11H27N5/c1-5-6-8-13-11(15-12)14-10(2)7-9-16(3)4/h10H,5-9,12H2,1-4H3,(H2,13,14,15)
InChIKeyPVTLUFIPXSJVNJ-UHFFFAOYSA-N
XLogP0.54
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.54
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-[4-(dimethylamino)butan-2-yl]-2-(3-methoxypropyl)guanidine
CID 104885248
1-amino-2-butyl-3-(4-methoxybutan-2-yl)guanidine
CID 104887008
1-amino-3-heptan-2-yl-2-propylguanidine
CID 104885589
1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine
CID 104882948
1-amino-2-butyl-3-(1-cyclopropylpropan-2-yl)guanidine
CID 104886206
2-[(N-amino-N'-butylcarbamimidoyl)amino]-N,N-diethylpropanamide
CID 104888281
3-amino-2-butyl-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)guanidine
CID 104884485
3-amino-2-butyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine
CID 104886352
1-amino-2-butyl-3-[2-[ethyl(methyl)amino]ethyl]guanidine
CID 104882550
1-amino-2-[2-[ethyl(methyl)amino]ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 104882549
1-amino-2,3-dibutylguanidine
CID 116511844
1-amino-3-[2-(dimethylamino)ethyl]-2-propylguanidine
CID 104882857

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-butyl-3-[4-(dimethylamino)butan-2-yl]guanidine?
The IUPAC name of 1-amino-2-butyl-3-[4-(dimethylamino)butan-2-yl]guanidine (CID 104885244) is 1-amino-2-butyl-3-[4-(dimethylamino)butan-2-yl]guanidine.
What is the SMILES notation for 1-amino-2-butyl-3-[4-(dimethylamino)butan-2-yl]guanidine?
The canonical SMILES for 1-amino-2-butyl-3-[4-(dimethylamino)butan-2-yl]guanidine is CCCC/N=C(\NN)NC(C)CCN(C)C.
What is the InChIKey of 1-amino-2-butyl-3-[4-(dimethylamino)butan-2-yl]guanidine?
The InChIKey is PVTLUFIPXSJVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N5/c1-5-6-8-13-11(15-12)14-10(2)7-9-16(3)4/h10H,5-9,12H2,1-4H3,(H2,13,14,15).
What are the key properties of 1-amino-2-butyl-3-[4-(dimethylamino)butan-2-yl]guanidine?
1-amino-2-butyl-3-[4-(dimethylamino)butan-2-yl]guanidine has a molecular weight of 229.37 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-butyl-3-[4-(dimethylamino)butan-2-yl]guanidine is sourced from PubChem (CID 104885244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).