ethane;piperidine-1-carbaldehyde;propane

C11H25NO — CID 170585838

IUPACethane;piperidine-1-carbaldehyde;propane
SMILESCC.CCC.O=CN1CCCCC1
InChIInChI=1S/C6H11NO.C3H8.C2H6/c8-6-7-4-2-1-3-5-7;1-3-2;1-2/h6H,1-5H2;3H2,1-2H3;1-2H3
InChIKeyMTWTYIMDJNTCGQ-UHFFFAOYSA-N
MW187.33 g/mol
LogP3.07
Rot. Bonds1

About ethane;piperidine-1-carbaldehyde;propane

ethane;piperidine-1-carbaldehyde;propane (PubChem CID 170585838) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is ethane;piperidine-1-carbaldehyde;propane.

Molecular Properties

Compound Nameethane;piperidine-1-carbaldehyde;propane
PubChem CID170585838
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Nameethane;piperidine-1-carbaldehyde;propane
SMILESCC.CCC.O=CN1CCCCC1
InChIInChI=1S/C6H11NO.C3H8.C2H6/c8-6-7-4-2-1-3-5-7;1-3-2;1-2/h6H,1-5H2;3H2,1-2H3;1-2H3
InChIKeyMTWTYIMDJNTCGQ-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Piperidinecarboxaldehyde
CID 17429
N,N-Dibutylformamide
CID 12975
2,6-Dimethyl-1-piperidinecarboxaldehyde
CID 4643970
Formamide, N,N-dihexyl-
CID 10420764
(Piperidin-1-yl)(trimethylstannyl)methanone
CID 14028199
Methylhexylformamide
CID 272128
N,N-dipentylformamide
CID 346328
2-Methylpiperidine-1-carbaldehyde
CID 13260923
N-ethyl-N-heptylformamide
CID 14151223
3,5-Dimethylpiperidine-1-carbaldehyde
CID 21702755
4-Fluoropiperidine-1-carbaldehyde
CID 57455264
2-Fluoropiperidine-1-carbaldehyde
CID 87612053

Frequently Asked Questions

What is the IUPAC name of ethane;piperidine-1-carbaldehyde;propane?
The IUPAC name of ethane;piperidine-1-carbaldehyde;propane (CID 170585838) is ethane;piperidine-1-carbaldehyde;propane.
What is the SMILES notation for ethane;piperidine-1-carbaldehyde;propane?
The canonical SMILES for ethane;piperidine-1-carbaldehyde;propane is CC.CCC.O=CN1CCCCC1.
What is the InChIKey of ethane;piperidine-1-carbaldehyde;propane?
The InChIKey is MTWTYIMDJNTCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C3H8.C2H6/c8-6-7-4-2-1-3-5-7;1-3-2;1-2/h6H,1-5H2;3H2,1-2H3;1-2H3.
What are the key properties of ethane;piperidine-1-carbaldehyde;propane?
ethane;piperidine-1-carbaldehyde;propane has a molecular weight of 187.33 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;piperidine-1-carbaldehyde;propane is sourced from PubChem (CID 170585838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).