N-[3-(3,3,5,5-tetramethylpiperazin-1-yl)propyl]cyclohexanamine

C17H35N3 — CID 19820920

IUPACN-[3-(3,3,5,5-tetramethylpiperazin-1-yl)propyl]cyclohexanamine
SMILESCC1(C)CN(CCCNC2CCCCC2)CC(C)(C)N1
InChIInChI=1S/C17H35N3/c1-16(2)13-20(14-17(3,4)19-16)12-8-11-18-15-9-6-5-7-10-15/h15,18-19H,5-14H2,1-4H3
InChIKeyVRZCBFPFRJTFCE-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.76
Rot. Bonds5

About N-[3-(3,3,5,5-tetramethylpiperazin-1-yl)propyl]cyclohexanamine

N-[3-(3,3,5,5-tetramethylpiperazin-1-yl)propyl]cyclohexanamine (PubChem CID 19820920) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N-[3-(3,3,5,5-tetramethylpiperazin-1-yl)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[3-(3,3,5,5-tetramethylpiperazin-1-yl)propyl]cyclohexanamine
PubChem CID19820920
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN-[3-(3,3,5,5-tetramethylpiperazin-1-yl)propyl]cyclohexanamine
SMILESCC1(C)CN(CCCNC2CCCCC2)CC(C)(C)N1
InChIInChI=1S/C17H35N3/c1-16(2)13-20(14-17(3,4)19-16)12-8-11-18-15-9-6-5-7-10-15/h15,18-19H,5-14H2,1-4H3
InChIKeyVRZCBFPFRJTFCE-UHFFFAOYSA-N
XLogP2.76
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-(3,3,5,5-tetramethylpiperazin-1-yl)propyl]cyclohexanamine?
The IUPAC name of N-[3-(3,3,5,5-tetramethylpiperazin-1-yl)propyl]cyclohexanamine (CID 19820920) is N-[3-(3,3,5,5-tetramethylpiperazin-1-yl)propyl]cyclohexanamine.
What is the SMILES notation for N-[3-(3,3,5,5-tetramethylpiperazin-1-yl)propyl]cyclohexanamine?
The canonical SMILES for N-[3-(3,3,5,5-tetramethylpiperazin-1-yl)propyl]cyclohexanamine is CC1(C)CN(CCCNC2CCCCC2)CC(C)(C)N1.
What is the InChIKey of N-[3-(3,3,5,5-tetramethylpiperazin-1-yl)propyl]cyclohexanamine?
The InChIKey is VRZCBFPFRJTFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-16(2)13-20(14-17(3,4)19-16)12-8-11-18-15-9-6-5-7-10-15/h15,18-19H,5-14H2,1-4H3.
What are the key properties of N-[3-(3,3,5,5-tetramethylpiperazin-1-yl)propyl]cyclohexanamine?
N-[3-(3,3,5,5-tetramethylpiperazin-1-yl)propyl]cyclohexanamine has a molecular weight of 281.49 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3,5,5-tetramethylpiperazin-1-yl)propyl]cyclohexanamine is sourced from PubChem (CID 19820920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).