5-cyclohex-2-en-1-yl-2,3,4-trimethyl-4-(methylamino)pentanal

C15H27NO — CID 129270612

IUPAC5-cyclohex-2-en-1-yl-2,3,4-trimethyl-4-(methylamino)pentanal
SMILESCNC(C)(CC1C=CCCC1)C(C)C(C)C=O
InChIInChI=1S/C15H27NO/c1-12(11-17)13(2)15(3,16-4)10-14-8-6-5-7-9-14/h6,8,11-14,16H,5,7,9-10H2,1-4H3
InChIKeyGRQVBVLQCAOVCA-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.18
Rot. Bonds6

About 5-cyclohex-2-en-1-yl-2,3,4-trimethyl-4-(methylamino)pentanal

5-cyclohex-2-en-1-yl-2,3,4-trimethyl-4-(methylamino)pentanal (PubChem CID 129270612) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 5-cyclohex-2-en-1-yl-2,3,4-trimethyl-4-(methylamino)pentanal.

Molecular Properties

Compound Name5-cyclohex-2-en-1-yl-2,3,4-trimethyl-4-(methylamino)pentanal
PubChem CID129270612
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name5-cyclohex-2-en-1-yl-2,3,4-trimethyl-4-(methylamino)pentanal
SMILESCNC(C)(CC1C=CCCC1)C(C)C(C)C=O
InChIInChI=1S/C15H27NO/c1-12(11-17)13(2)15(3,16-4)10-14-8-6-5-7-9-14/h6,8,11-14,16H,5,7,9-10H2,1-4H3
InChIKeyGRQVBVLQCAOVCA-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.18
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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Frequently Asked Questions

What is the IUPAC name of 5-cyclohex-2-en-1-yl-2,3,4-trimethyl-4-(methylamino)pentanal?
The IUPAC name of 5-cyclohex-2-en-1-yl-2,3,4-trimethyl-4-(methylamino)pentanal (CID 129270612) is 5-cyclohex-2-en-1-yl-2,3,4-trimethyl-4-(methylamino)pentanal.
What is the SMILES notation for 5-cyclohex-2-en-1-yl-2,3,4-trimethyl-4-(methylamino)pentanal?
The canonical SMILES for 5-cyclohex-2-en-1-yl-2,3,4-trimethyl-4-(methylamino)pentanal is CNC(C)(CC1C=CCCC1)C(C)C(C)C=O.
What is the InChIKey of 5-cyclohex-2-en-1-yl-2,3,4-trimethyl-4-(methylamino)pentanal?
The InChIKey is GRQVBVLQCAOVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-12(11-17)13(2)15(3,16-4)10-14-8-6-5-7-9-14/h6,8,11-14,16H,5,7,9-10H2,1-4H3.
What are the key properties of 5-cyclohex-2-en-1-yl-2,3,4-trimethyl-4-(methylamino)pentanal?
5-cyclohex-2-en-1-yl-2,3,4-trimethyl-4-(methylamino)pentanal has a molecular weight of 237.39 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-2-en-1-yl-2,3,4-trimethyl-4-(methylamino)pentanal is sourced from PubChem (CID 129270612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).