2-[3-cyclobutyl-1-(diaminomethylideneamino)-1-phenylpropyl]guanidine

C15H24N6 — CID 87973707

IUPAC2-[3-cyclobutyl-1-(diaminomethylideneamino)-1-phenylpropyl]guanidine
SMILESNC(N)=NC(CCC1CCC1)(N=C(N)N)c1ccccc1
InChIInChI=1S/C15H24N6/c16-13(17)20-15(21-14(18)19,10-9-11-5-4-6-11)12-7-2-1-3-8-12/h1-3,7-8,11H,4-6,9-10H2,(H4,16,17,20)(H4,18,19,21)
InChIKeyWVPLTCLOUMQYNT-UHFFFAOYSA-N
MW288.40 g/mol
LogP0.97
Rot. Bonds6

About 2-[3-cyclobutyl-1-(diaminomethylideneamino)-1-phenylpropyl]guanidine

2-[3-cyclobutyl-1-(diaminomethylideneamino)-1-phenylpropyl]guanidine (PubChem CID 87973707) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-[3-cyclobutyl-1-(diaminomethylideneamino)-1-phenylpropyl]guanidine.

Molecular Properties

Compound Name2-[3-cyclobutyl-1-(diaminomethylideneamino)-1-phenylpropyl]guanidine
PubChem CID87973707
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name2-[3-cyclobutyl-1-(diaminomethylideneamino)-1-phenylpropyl]guanidine
SMILESNC(N)=NC(CCC1CCC1)(N=C(N)N)c1ccccc1
InChIInChI=1S/C15H24N6/c16-13(17)20-15(21-14(18)19,10-9-11-5-4-6-11)12-7-2-1-3-8-12/h1-3,7-8,11H,4-6,9-10H2,(H4,16,17,20)(H4,18,19,21)
InChIKeyWVPLTCLOUMQYNT-UHFFFAOYSA-N
XLogP0.97
TPSA128.80 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclobutyl-1-(diaminomethylideneamino)-1-phenylpropyl]guanidine?
The IUPAC name of 2-[3-cyclobutyl-1-(diaminomethylideneamino)-1-phenylpropyl]guanidine (CID 87973707) is 2-[3-cyclobutyl-1-(diaminomethylideneamino)-1-phenylpropyl]guanidine.
What is the SMILES notation for 2-[3-cyclobutyl-1-(diaminomethylideneamino)-1-phenylpropyl]guanidine?
The canonical SMILES for 2-[3-cyclobutyl-1-(diaminomethylideneamino)-1-phenylpropyl]guanidine is NC(N)=NC(CCC1CCC1)(N=C(N)N)c1ccccc1.
What is the InChIKey of 2-[3-cyclobutyl-1-(diaminomethylideneamino)-1-phenylpropyl]guanidine?
The InChIKey is WVPLTCLOUMQYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c16-13(17)20-15(21-14(18)19,10-9-11-5-4-6-11)12-7-2-1-3-8-12/h1-3,7-8,11H,4-6,9-10H2,(H4,16,17,20)(H4,18,19,21).
What are the key properties of 2-[3-cyclobutyl-1-(diaminomethylideneamino)-1-phenylpropyl]guanidine?
2-[3-cyclobutyl-1-(diaminomethylideneamino)-1-phenylpropyl]guanidine has a molecular weight of 288.40 g/mol, XLogP of 0.97, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclobutyl-1-(diaminomethylideneamino)-1-phenylpropyl]guanidine is sourced from PubChem (CID 87973707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).