ethane;6-(propylamino)cyclohex-3-ene-1-carbaldehyde

C12H23NO — CID 143768006

IUPACethane;6-(propylamino)cyclohex-3-ene-1-carbaldehyde
SMILESCC.CCCNC1CC=CCC1C=O
InChIInChI=1S/C10H17NO.C2H6/c1-2-7-11-10-6-4-3-5-9(10)8-12;1-2/h3-4,8-11H,2,5-7H2,1H3;1-2H3
InChIKeyZFUPSFCXPYNPBR-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.55
Rot. Bonds4

About ethane;6-(propylamino)cyclohex-3-ene-1-carbaldehyde

ethane;6-(propylamino)cyclohex-3-ene-1-carbaldehyde (PubChem CID 143768006) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is ethane;6-(propylamino)cyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Nameethane;6-(propylamino)cyclohex-3-ene-1-carbaldehyde
PubChem CID143768006
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Nameethane;6-(propylamino)cyclohex-3-ene-1-carbaldehyde
SMILESCC.CCCNC1CC=CCC1C=O
InChIInChI=1S/C10H17NO.C2H6/c1-2-7-11-10-6-4-3-5-9(10)8-12;1-2/h3-4,8-11H,2,5-7H2,1H3;1-2H3
InChIKeyZFUPSFCXPYNPBR-UHFFFAOYSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Diethylamino)cyclohex-3-ene-1-carbaldehyde
CID 121219528
2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde
CID 20655773
2-[6-Methyl-5-(methylamino)-2-tritiocyclohex-2-en-1-yl]-1-tritioethanone
CID 60081690
1-[6-(3,3-Dimethylbutylamino)cyclohex-3-en-1-yl]ethanone
CID 68265803
(E)-N-[(3S)-3-formylheptan-4-yl]pent-3-enamide
CID 87815380
N-[(3S)-3-formylheptan-4-yl]pent-3-enamide
CID 91475765
3-(Cyclohex-3-en-1-ylmethylamino)-2-methylpropanal
CID 123460108
2-[4-(Methylamino)cyclohex-2-en-1-yl]acetaldehyde
CID 129229808
(5R,6S)-5-methyl-6-(methylamino)cyclohex-3-ene-1-carbaldehyde
CID 134334270
(4Z)-8-(methylamino)cyclooct-4-ene-1-carbaldehyde
CID 153357949
3-[(Cyclohex-3-en-1-ylamino)methyl]hexan-2-one;ethane;molecular hydrogen
CID 156744238
(3R,7S)-7-methyl-2,3,4,7-tetrahydro-1H-azepine-3-carbaldehyde
CID 156840866

Frequently Asked Questions

What is the IUPAC name of ethane;6-(propylamino)cyclohex-3-ene-1-carbaldehyde?
The IUPAC name of ethane;6-(propylamino)cyclohex-3-ene-1-carbaldehyde (CID 143768006) is ethane;6-(propylamino)cyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for ethane;6-(propylamino)cyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for ethane;6-(propylamino)cyclohex-3-ene-1-carbaldehyde is CC.CCCNC1CC=CCC1C=O.
What is the InChIKey of ethane;6-(propylamino)cyclohex-3-ene-1-carbaldehyde?
The InChIKey is ZFUPSFCXPYNPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.C2H6/c1-2-7-11-10-6-4-3-5-9(10)8-12;1-2/h3-4,8-11H,2,5-7H2,1H3;1-2H3.
What are the key properties of ethane;6-(propylamino)cyclohex-3-ene-1-carbaldehyde?
ethane;6-(propylamino)cyclohex-3-ene-1-carbaldehyde has a molecular weight of 197.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(propylamino)cyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 143768006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).