2-(cyclohexylmethyl)-1-(3-piperidin-1-ylpropyl)guanidine

C16H32N4 — CID 11948032

IUPAC2-(cyclohexylmethyl)-1-(3-piperidin-1-ylpropyl)guanidine
SMILESN/C(=N\CC1CCCCC1)NCCCN1CCCCC1
InChIInChI=1S/C16H32N4/c17-16(19-14-15-8-3-1-4-9-15)18-10-7-13-20-11-5-2-6-12-20/h15H,1-14H2,(H3,17,18,19)
InChIKeySMWYKMRBONXMAV-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.35
Rot. Bonds6

About 2-(cyclohexylmethyl)-1-(3-piperidin-1-ylpropyl)guanidine

2-(cyclohexylmethyl)-1-(3-piperidin-1-ylpropyl)guanidine (PubChem CID 11948032) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-1-(3-piperidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-1-(3-piperidin-1-ylpropyl)guanidine
PubChem CID11948032
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name2-(cyclohexylmethyl)-1-(3-piperidin-1-ylpropyl)guanidine
SMILESN/C(=N\CC1CCCCC1)NCCCN1CCCCC1
InChIInChI=1S/C16H32N4/c17-16(19-14-15-8-3-1-4-9-15)18-10-7-13-20-11-5-2-6-12-20/h15H,1-14H2,(H3,17,18,19)
InChIKeySMWYKMRBONXMAV-UHFFFAOYSA-N
XLogP2.35
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.35
H-Bond Donors ≤ 52
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 2-(cyclohexylmethyl)-1-(3-piperidin-1-ylpropyl)guanidine?
The IUPAC name of 2-(cyclohexylmethyl)-1-(3-piperidin-1-ylpropyl)guanidine (CID 11948032) is 2-(cyclohexylmethyl)-1-(3-piperidin-1-ylpropyl)guanidine.
What is the SMILES notation for 2-(cyclohexylmethyl)-1-(3-piperidin-1-ylpropyl)guanidine?
The canonical SMILES for 2-(cyclohexylmethyl)-1-(3-piperidin-1-ylpropyl)guanidine is N/C(=N\CC1CCCCC1)NCCCN1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethyl)-1-(3-piperidin-1-ylpropyl)guanidine?
The InChIKey is SMWYKMRBONXMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c17-16(19-14-15-8-3-1-4-9-15)18-10-7-13-20-11-5-2-6-12-20/h15H,1-14H2,(H3,17,18,19).
What are the key properties of 2-(cyclohexylmethyl)-1-(3-piperidin-1-ylpropyl)guanidine?
2-(cyclohexylmethyl)-1-(3-piperidin-1-ylpropyl)guanidine has a molecular weight of 280.46 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-1-(3-piperidin-1-ylpropyl)guanidine is sourced from PubChem (CID 11948032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).