acetaldehyde;1-cyclohexyl-N-methylmethanamine;1-methylpiperazine

C15H33N3O — CID 143499021

IUPACacetaldehyde;1-cyclohexyl-N-methylmethanamine;1-methylpiperazine
SMILESCC=O.CN1CCNCC1.CNCC1CCCCC1
InChIInChI=1S/C8H17N.C5H12N2.C2H4O/c1-9-7-8-5-3-2-4-6-8;1-7-4-2-6-3-5-7;1-2-3/h8-9H,2-7H2,1H3;6H,2-5H2,1H3;2H,1H3
InChIKeyQCCQULNRIQYCBL-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.51
Rot. Bonds2

About acetaldehyde;1-cyclohexyl-N-methylmethanamine;1-methylpiperazine

acetaldehyde;1-cyclohexyl-N-methylmethanamine;1-methylpiperazine (PubChem CID 143499021) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is acetaldehyde;1-cyclohexyl-N-methylmethanamine;1-methylpiperazine.

Molecular Properties

Compound Nameacetaldehyde;1-cyclohexyl-N-methylmethanamine;1-methylpiperazine
PubChem CID143499021
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Nameacetaldehyde;1-cyclohexyl-N-methylmethanamine;1-methylpiperazine
SMILESCC=O.CN1CCNCC1.CNCC1CCCCC1
InChIInChI=1S/C8H17N.C5H12N2.C2H4O/c1-9-7-8-5-3-2-4-6-8;1-7-4-2-6-3-5-7;1-2-3/h8-9H,2-7H2,1H3;6H,2-5H2,1H3;2H,1H3
InChIKeyQCCQULNRIQYCBL-UHFFFAOYSA-N
XLogP1.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;1-cyclohexyl-N-methylmethanamine;1-methylpiperazine?
The IUPAC name of acetaldehyde;1-cyclohexyl-N-methylmethanamine;1-methylpiperazine (CID 143499021) is acetaldehyde;1-cyclohexyl-N-methylmethanamine;1-methylpiperazine.
What is the SMILES notation for acetaldehyde;1-cyclohexyl-N-methylmethanamine;1-methylpiperazine?
The canonical SMILES for acetaldehyde;1-cyclohexyl-N-methylmethanamine;1-methylpiperazine is CC=O.CN1CCNCC1.CNCC1CCCCC1.
What is the InChIKey of acetaldehyde;1-cyclohexyl-N-methylmethanamine;1-methylpiperazine?
The InChIKey is QCCQULNRIQYCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C5H12N2.C2H4O/c1-9-7-8-5-3-2-4-6-8;1-7-4-2-6-3-5-7;1-2-3/h8-9H,2-7H2,1H3;6H,2-5H2,1H3;2H,1H3.
What are the key properties of acetaldehyde;1-cyclohexyl-N-methylmethanamine;1-methylpiperazine?
acetaldehyde;1-cyclohexyl-N-methylmethanamine;1-methylpiperazine has a molecular weight of 271.45 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;1-cyclohexyl-N-methylmethanamine;1-methylpiperazine is sourced from PubChem (CID 143499021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).