1-(4-aminobutyl)-2-(3-phenylpropyl)guanidine

C14H24N4 — CID 10422145

IUPAC1-(4-aminobutyl)-2-(3-phenylpropyl)guanidine
SMILESNCCCCN/C(N)=N/CCCc1ccccc1
InChIInChI=1S/C14H24N4/c15-10-4-5-11-17-14(16)18-12-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12,15H2,(H3,16,17,18)
InChIKeyNFQOVGIVNTWBCQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.26
Rot. Bonds8

About 1-(4-aminobutyl)-2-(3-phenylpropyl)guanidine

1-(4-aminobutyl)-2-(3-phenylpropyl)guanidine (PubChem CID 10422145) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(4-aminobutyl)-2-(3-phenylpropyl)guanidine.

Molecular Properties

Compound Name1-(4-aminobutyl)-2-(3-phenylpropyl)guanidine
PubChem CID10422145
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-(4-aminobutyl)-2-(3-phenylpropyl)guanidine
SMILESNCCCCN/C(N)=N/CCCc1ccccc1
InChIInChI=1S/C14H24N4/c15-10-4-5-11-17-14(16)18-12-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12,15H2,(H3,16,17,18)
InChIKeyNFQOVGIVNTWBCQ-UHFFFAOYSA-N
XLogP1.26
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-(4-aminobutyl)-2-(3-phenylpropyl)guanidine?
The IUPAC name of 1-(4-aminobutyl)-2-(3-phenylpropyl)guanidine (CID 10422145) is 1-(4-aminobutyl)-2-(3-phenylpropyl)guanidine.
What is the SMILES notation for 1-(4-aminobutyl)-2-(3-phenylpropyl)guanidine?
The canonical SMILES for 1-(4-aminobutyl)-2-(3-phenylpropyl)guanidine is NCCCCN/C(N)=N/CCCc1ccccc1.
What is the InChIKey of 1-(4-aminobutyl)-2-(3-phenylpropyl)guanidine?
The InChIKey is NFQOVGIVNTWBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c15-10-4-5-11-17-14(16)18-12-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12,15H2,(H3,16,17,18).
What are the key properties of 1-(4-aminobutyl)-2-(3-phenylpropyl)guanidine?
1-(4-aminobutyl)-2-(3-phenylpropyl)guanidine has a molecular weight of 248.37 g/mol, XLogP of 1.26, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutyl)-2-(3-phenylpropyl)guanidine is sourced from PubChem (CID 10422145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).