acetaldehyde;N-(2-cyclohexyl-2-piperazin-1-ylethyl)propan-2-amine

C17H35N3O — CID 143435723

IUPACacetaldehyde;N-(2-cyclohexyl-2-piperazin-1-ylethyl)propan-2-amine
SMILESCC(C)NCC(C1CCCCC1)N1CCNCC1.CC=O
InChIInChI=1S/C15H31N3.C2H4O/c1-13(2)17-12-15(14-6-4-3-5-7-14)18-10-8-16-9-11-18;1-2-3/h13-17H,3-12H2,1-2H3;2H,1H3
InChIKeyZDZJBKDWIPXAKP-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.04
Rot. Bonds5

About acetaldehyde;N-(2-cyclohexyl-2-piperazin-1-ylethyl)propan-2-amine

acetaldehyde;N-(2-cyclohexyl-2-piperazin-1-ylethyl)propan-2-amine (PubChem CID 143435723) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is acetaldehyde;N-(2-cyclohexyl-2-piperazin-1-ylethyl)propan-2-amine.

Molecular Properties

Compound Nameacetaldehyde;N-(2-cyclohexyl-2-piperazin-1-ylethyl)propan-2-amine
PubChem CID143435723
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Nameacetaldehyde;N-(2-cyclohexyl-2-piperazin-1-ylethyl)propan-2-amine
SMILESCC(C)NCC(C1CCCCC1)N1CCNCC1.CC=O
InChIInChI=1S/C15H31N3.C2H4O/c1-13(2)17-12-15(14-6-4-3-5-7-14)18-10-8-16-9-11-18;1-2-3/h13-17H,3-12H2,1-2H3;2H,1H3
InChIKeyZDZJBKDWIPXAKP-UHFFFAOYSA-N
XLogP2.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Cyclohexylpiperazin-1-yl)ethanol
CID 21242424
N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-propan-2-ylacetamide
CID 58780596
N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-(2-methylpropyl)acetamide
CID 58786511
N-(2-cyclohexyl-2-piperazin-1-ylethyl)-N-ethylacetamide
CID 58786652
acetaldehyde;(3S)-1-N-butyl-4-cyclohexylbutane-1,3-diamine
CID 142946156
acetaldehyde;1-cyclohexyl-N-methylmethanamine;1-methylpiperazine
CID 143499021
1-Butylpiperazine;propan-2-one;propylcyclohexane
CID 143759167
2-[2-[Cyclohexylmethyl(methyl)amino]ethylamino]acetaldehyde;propane
CID 145164159
acetaldehyde;ethane;N-methylcyclohexanamine;1-methylpiperazine
CID 156641426
1-Methyl-4-(10-methylundecyl)piperazine;2-(propan-2-ylamino)acetaldehyde
CID 170586175
acetaldehyde;N-methyl-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanamine
CID 171081423
N-methyl-1-(5-methylhexyl)piperidin-4-amine;propanal
CID 171555001

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N-(2-cyclohexyl-2-piperazin-1-ylethyl)propan-2-amine?
The IUPAC name of acetaldehyde;N-(2-cyclohexyl-2-piperazin-1-ylethyl)propan-2-amine (CID 143435723) is acetaldehyde;N-(2-cyclohexyl-2-piperazin-1-ylethyl)propan-2-amine.
What is the SMILES notation for acetaldehyde;N-(2-cyclohexyl-2-piperazin-1-ylethyl)propan-2-amine?
The canonical SMILES for acetaldehyde;N-(2-cyclohexyl-2-piperazin-1-ylethyl)propan-2-amine is CC(C)NCC(C1CCCCC1)N1CCNCC1.CC=O.
What is the InChIKey of acetaldehyde;N-(2-cyclohexyl-2-piperazin-1-ylethyl)propan-2-amine?
The InChIKey is ZDZJBKDWIPXAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3.C2H4O/c1-13(2)17-12-15(14-6-4-3-5-7-14)18-10-8-16-9-11-18;1-2-3/h13-17H,3-12H2,1-2H3;2H,1H3.
What are the key properties of acetaldehyde;N-(2-cyclohexyl-2-piperazin-1-ylethyl)propan-2-amine?
acetaldehyde;N-(2-cyclohexyl-2-piperazin-1-ylethyl)propan-2-amine has a molecular weight of 297.49 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;N-(2-cyclohexyl-2-piperazin-1-ylethyl)propan-2-amine is sourced from PubChem (CID 143435723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).