1-amino-2-butyl-3-(1-cyclopropylpropan-2-yl)guanidine

C11H24N4 — CID 104886206

IUPAC1-amino-2-butyl-3-(1-cyclopropylpropan-2-yl)guanidine
SMILESCCCC/N=C(\NN)NC(C)CC1CC1
InChIInChI=1S/C11H24N4/c1-3-4-7-13-11(15-12)14-9(2)8-10-5-6-10/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15)
InChIKeyLHKWWGGIPZXLGP-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.38
Rot. Bonds6

About 1-amino-2-butyl-3-(1-cyclopropylpropan-2-yl)guanidine

1-amino-2-butyl-3-(1-cyclopropylpropan-2-yl)guanidine (PubChem CID 104886206) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-amino-2-butyl-3-(1-cyclopropylpropan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-butyl-3-(1-cyclopropylpropan-2-yl)guanidine
PubChem CID104886206
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name1-amino-2-butyl-3-(1-cyclopropylpropan-2-yl)guanidine
SMILESCCCC/N=C(\NN)NC(C)CC1CC1
InChIInChI=1S/C11H24N4/c1-3-4-7-13-11(15-12)14-9(2)8-10-5-6-10/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15)
InChIKeyLHKWWGGIPZXLGP-UHFFFAOYSA-N
XLogP1.38
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(1-cyclopropylpropan-2-yl)-2-(3-methoxypropyl)guanidine
CID 104886210
1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine
CID 104882948
1-amino-2-butyl-3-(4-methoxybutan-2-yl)guanidine
CID 104887008
1-amino-2-butyl-3-[4-(dimethylamino)butan-2-yl]guanidine
CID 104885244
1-amino-3-heptan-2-yl-2-propylguanidine
CID 104885589
1-amino-3-(1-methoxypropan-2-yl)-2-[2-(4-methylcyclohexyl)ethyl]guanidine
CID 104886649
2-[(N-amino-N'-butylcarbamimidoyl)amino]-N,N-diethylpropanamide
CID 104888281
1-amino-3-(1-cyclopropylbutan-2-yl)-2-methylguanidine
CID 104882252
1-amino-2,3-dibutylguanidine
CID 116511844
1-amino-3-[1-(diethylamino)propan-2-yl]-2-(3-ethoxypropyl)guanidine
CID 104885036
3-amino-2-butyl-1-cyclopropyl-1-(cyclopropylmethyl)guanidine
CID 104886998
1-amino-2-butyl-3-(3-ethyl-2-methylcyclopentyl)guanidine
CID 104886858

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-butyl-3-(1-cyclopropylpropan-2-yl)guanidine?
The IUPAC name of 1-amino-2-butyl-3-(1-cyclopropylpropan-2-yl)guanidine (CID 104886206) is 1-amino-2-butyl-3-(1-cyclopropylpropan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-butyl-3-(1-cyclopropylpropan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-butyl-3-(1-cyclopropylpropan-2-yl)guanidine is CCCC/N=C(\NN)NC(C)CC1CC1.
What is the InChIKey of 1-amino-2-butyl-3-(1-cyclopropylpropan-2-yl)guanidine?
The InChIKey is LHKWWGGIPZXLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-3-4-7-13-11(15-12)14-9(2)8-10-5-6-10/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-amino-2-butyl-3-(1-cyclopropylpropan-2-yl)guanidine?
1-amino-2-butyl-3-(1-cyclopropylpropan-2-yl)guanidine has a molecular weight of 212.34 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-butyl-3-(1-cyclopropylpropan-2-yl)guanidine is sourced from PubChem (CID 104886206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).