3-amino-2-butyl-1-cyclopropyl-1-(cyclopropylmethyl)guanidine

C12H24N4 — CID 104886998

IUPAC3-amino-2-butyl-1-cyclopropyl-1-(cyclopropylmethyl)guanidine
SMILESCCCC/N=C(\NN)N(CC1CC1)C1CC1
InChIInChI=1S/C12H24N4/c1-2-3-8-14-12(15-13)16(11-6-7-11)9-10-4-5-10/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyAFYLQSNZZTUQND-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.48
Rot. Bonds6

About 3-amino-2-butyl-1-cyclopropyl-1-(cyclopropylmethyl)guanidine

3-amino-2-butyl-1-cyclopropyl-1-(cyclopropylmethyl)guanidine (PubChem CID 104886998) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-amino-2-butyl-1-cyclopropyl-1-(cyclopropylmethyl)guanidine.

Molecular Properties

Compound Name3-amino-2-butyl-1-cyclopropyl-1-(cyclopropylmethyl)guanidine
PubChem CID104886998
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name3-amino-2-butyl-1-cyclopropyl-1-(cyclopropylmethyl)guanidine
SMILESCCCC/N=C(\NN)N(CC1CC1)C1CC1
InChIInChI=1S/C12H24N4/c1-2-3-8-14-12(15-13)16(11-6-7-11)9-10-4-5-10/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyAFYLQSNZZTUQND-UHFFFAOYSA-N
XLogP1.48
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-butyl-1-cyclopropyl-1-(cyclopropylmethyl)guanidine?
The IUPAC name of 3-amino-2-butyl-1-cyclopropyl-1-(cyclopropylmethyl)guanidine (CID 104886998) is 3-amino-2-butyl-1-cyclopropyl-1-(cyclopropylmethyl)guanidine.
What is the SMILES notation for 3-amino-2-butyl-1-cyclopropyl-1-(cyclopropylmethyl)guanidine?
The canonical SMILES for 3-amino-2-butyl-1-cyclopropyl-1-(cyclopropylmethyl)guanidine is CCCC/N=C(\NN)N(CC1CC1)C1CC1.
What is the InChIKey of 3-amino-2-butyl-1-cyclopropyl-1-(cyclopropylmethyl)guanidine?
The InChIKey is AFYLQSNZZTUQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-2-3-8-14-12(15-13)16(11-6-7-11)9-10-4-5-10/h10-11H,2-9,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-2-butyl-1-cyclopropyl-1-(cyclopropylmethyl)guanidine?
3-amino-2-butyl-1-cyclopropyl-1-(cyclopropylmethyl)guanidine has a molecular weight of 224.35 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-butyl-1-cyclopropyl-1-(cyclopropylmethyl)guanidine is sourced from PubChem (CID 104886998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).