1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]-2-propylguanidine

C13H29N5 — CID 104883001

IUPAC1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]-2-propylguanidine
SMILESCCC/N=C(\NN)NCCCN1CCCCC1C
InChIInChI=1S/C13H29N5/c1-3-8-15-13(17-14)16-9-6-11-18-10-5-4-7-12(18)2/h12H,3-11,14H2,1-2H3,(H2,15,16,17)
InChIKeyGEXPTHIYIBCQRB-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.07
Rot. Bonds6

About 1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]-2-propylguanidine

1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]-2-propylguanidine (PubChem CID 104883001) has the molecular formula C13H29N5 and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]-2-propylguanidine.

Molecular Properties

Compound Name1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]-2-propylguanidine
PubChem CID104883001
Molecular FormulaC13H29N5
Molecular Weight255.41 g/mol
Exact Mass255.24
IUPAC Name1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]-2-propylguanidine
SMILESCCC/N=C(\NN)NCCCN1CCCCC1C
InChIInChI=1S/C13H29N5/c1-3-8-15-13(17-14)16-9-6-11-18-10-5-4-7-12(18)2/h12H,3-11,14H2,1-2H3,(H2,15,16,17)
InChIKeyGEXPTHIYIBCQRB-UHFFFAOYSA-N
XLogP1.07
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.07
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]-2-propylguanidine?
The IUPAC name of 1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]-2-propylguanidine (CID 104883001) is 1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]-2-propylguanidine.
What is the SMILES notation for 1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]-2-propylguanidine?
The canonical SMILES for 1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]-2-propylguanidine is CCC/N=C(\NN)NCCCN1CCCCC1C.
What is the InChIKey of 1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]-2-propylguanidine?
The InChIKey is GEXPTHIYIBCQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N5/c1-3-8-15-13(17-14)16-9-6-11-18-10-5-4-7-12(18)2/h12H,3-11,14H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]-2-propylguanidine?
1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]-2-propylguanidine has a molecular weight of 255.41 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]-2-propylguanidine is sourced from PubChem (CID 104883001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).