N-(cyclohexylmethyl)-3-[4-[3-(cyclohexylmethylamino)propyl]piperazin-1-yl]propan-1-amine

C24H48N4 — CID 11741263

IUPACN-(cyclohexylmethyl)-3-[4-[3-(cyclohexylmethylamino)propyl]piperazin-1-yl]propan-1-amine
SMILESC1CCC(CNCCCN2CCN(CCCNCC3CCCCC3)CC2)CC1
InChIInChI=1S/C24H48N4/c1-3-9-23(10-4-1)21-25-13-7-15-27-17-19-28(20-18-27)16-8-14-26-22-24-11-5-2-6-12-24/h23-26H,1-22H2
InChIKeyREGUOILOXLELQG-UHFFFAOYSA-N
MW392.68 g/mol
LogP3.72
Rot. Bonds12

About N-(cyclohexylmethyl)-3-[4-[3-(cyclohexylmethylamino)propyl]piperazin-1-yl]propan-1-amine

N-(cyclohexylmethyl)-3-[4-[3-(cyclohexylmethylamino)propyl]piperazin-1-yl]propan-1-amine (PubChem CID 11741263) has the molecular formula C24H48N4 and a molecular weight of 392.68 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-[4-[3-(cyclohexylmethylamino)propyl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-[4-[3-(cyclohexylmethylamino)propyl]piperazin-1-yl]propan-1-amine
PubChem CID11741263
Molecular FormulaC24H48N4
Molecular Weight392.68 g/mol
Exact Mass392.39
IUPAC NameN-(cyclohexylmethyl)-3-[4-[3-(cyclohexylmethylamino)propyl]piperazin-1-yl]propan-1-amine
SMILESC1CCC(CNCCCN2CCN(CCCNCC3CCCCC3)CC2)CC1
InChIInChI=1S/C24H48N4/c1-3-9-23(10-4-1)21-25-13-7-15-27-17-19-28(20-18-27)16-8-14-26-22-24-11-5-2-6-12-24/h23-26H,1-22H2
InChIKeyREGUOILOXLELQG-UHFFFAOYSA-N
XLogP3.72
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.68
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-[4-[3-(cyclohexylmethylamino)propyl]piperazin-1-yl]propan-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-3-[4-[3-(cyclohexylmethylamino)propyl]piperazin-1-yl]propan-1-amine (CID 11741263) is N-(cyclohexylmethyl)-3-[4-[3-(cyclohexylmethylamino)propyl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-3-[4-[3-(cyclohexylmethylamino)propyl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-3-[4-[3-(cyclohexylmethylamino)propyl]piperazin-1-yl]propan-1-amine is C1CCC(CNCCCN2CCN(CCCNCC3CCCCC3)CC2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-3-[4-[3-(cyclohexylmethylamino)propyl]piperazin-1-yl]propan-1-amine?
The InChIKey is REGUOILOXLELQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N4/c1-3-9-23(10-4-1)21-25-13-7-15-27-17-19-28(20-18-27)16-8-14-26-22-24-11-5-2-6-12-24/h23-26H,1-22H2.
What are the key properties of N-(cyclohexylmethyl)-3-[4-[3-(cyclohexylmethylamino)propyl]piperazin-1-yl]propan-1-amine?
N-(cyclohexylmethyl)-3-[4-[3-(cyclohexylmethylamino)propyl]piperazin-1-yl]propan-1-amine has a molecular weight of 392.68 g/mol, XLogP of 3.72, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-[4-[3-(cyclohexylmethylamino)propyl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 11741263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).