cyclopentanecarbaldehyde;ethane;(Z)-N-methyl-6-[(1R)-2-propylcyclopropyl]hex-5-en-1-amine

C21H41NO — CID 143731925

IUPACcyclopentanecarbaldehyde;ethane;(Z)-N-methyl-6-[(1R)-2-propylcyclopropyl]hex-5-en-1-amine
SMILESCC.CCCC1C[C@H]1/C=C\CCCCNC.O=CC1CCCC1
InChIInChI=1S/C13H25N.C6H10O.C2H6/c1-3-8-12-11-13(12)9-6-4-5-7-10-14-2;7-5-6-3-1-2-4-6;1-2/h6,9,12-14H,3-5,7-8,10-11H2,1-2H3;5-6H,1-4H2;1-2H3/b9-6-;;/t12?,13-;;/m1../s1
InChIKeyIRIYFLZLWGBBRP-FZCYYNTJSA-N
MW323.56 g/mol
LogP5.77
Rot. Bonds9

About cyclopentanecarbaldehyde;ethane;(Z)-N-methyl-6-[(1R)-2-propylcyclopropyl]hex-5-en-1-amine

cyclopentanecarbaldehyde;ethane;(Z)-N-methyl-6-[(1R)-2-propylcyclopropyl]hex-5-en-1-amine (PubChem CID 143731925) has the molecular formula C21H41NO and a molecular weight of 323.56 g/mol. Its IUPAC name is cyclopentanecarbaldehyde;ethane;(Z)-N-methyl-6-[(1R)-2-propylcyclopropyl]hex-5-en-1-amine.

Molecular Properties

Compound Namecyclopentanecarbaldehyde;ethane;(Z)-N-methyl-6-[(1R)-2-propylcyclopropyl]hex-5-en-1-amine
PubChem CID143731925
Molecular FormulaC21H41NO
Molecular Weight323.56 g/mol
Exact Mass323.32
IUPAC Namecyclopentanecarbaldehyde;ethane;(Z)-N-methyl-6-[(1R)-2-propylcyclopropyl]hex-5-en-1-amine
SMILESCC.CCCC1C[C@H]1/C=C\CCCCNC.O=CC1CCCC1
InChIInChI=1S/C13H25N.C6H10O.C2H6/c1-3-8-12-11-13(12)9-6-4-5-7-10-14-2;7-5-6-3-1-2-4-6;1-2/h6,9,12-14H,3-5,7-8,10-11H2,1-2H3;5-6H,1-4H2;1-2H3/b9-6-;;/t12?,13-;;/m1../s1
InChIKeyIRIYFLZLWGBBRP-FZCYYNTJSA-N
XLogP5.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.56
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentanecarbaldehyde;ethane;(Z)-N-methyl-6-[(1R)-2-propylcyclopropyl]hex-5-en-1-amine?
The IUPAC name of cyclopentanecarbaldehyde;ethane;(Z)-N-methyl-6-[(1R)-2-propylcyclopropyl]hex-5-en-1-amine (CID 143731925) is cyclopentanecarbaldehyde;ethane;(Z)-N-methyl-6-[(1R)-2-propylcyclopropyl]hex-5-en-1-amine.
What is the SMILES notation for cyclopentanecarbaldehyde;ethane;(Z)-N-methyl-6-[(1R)-2-propylcyclopropyl]hex-5-en-1-amine?
The canonical SMILES for cyclopentanecarbaldehyde;ethane;(Z)-N-methyl-6-[(1R)-2-propylcyclopropyl]hex-5-en-1-amine is CC.CCCC1C[C@H]1/C=C\CCCCNC.O=CC1CCCC1.
What is the InChIKey of cyclopentanecarbaldehyde;ethane;(Z)-N-methyl-6-[(1R)-2-propylcyclopropyl]hex-5-en-1-amine?
The InChIKey is IRIYFLZLWGBBRP-FZCYYNTJSA-N. The full InChI is InChI=1S/C13H25N.C6H10O.C2H6/c1-3-8-12-11-13(12)9-6-4-5-7-10-14-2;7-5-6-3-1-2-4-6;1-2/h6,9,12-14H,3-5,7-8,10-11H2,1-2H3;5-6H,1-4H2;1-2H3/b9-6-;;/t12?,13-;;/m1../s1.
What are the key properties of cyclopentanecarbaldehyde;ethane;(Z)-N-methyl-6-[(1R)-2-propylcyclopropyl]hex-5-en-1-amine?
cyclopentanecarbaldehyde;ethane;(Z)-N-methyl-6-[(1R)-2-propylcyclopropyl]hex-5-en-1-amine has a molecular weight of 323.56 g/mol, XLogP of 5.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanecarbaldehyde;ethane;(Z)-N-methyl-6-[(1R)-2-propylcyclopropyl]hex-5-en-1-amine is sourced from PubChem (CID 143731925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).