(5Z)-1,1-dimethyl-3-propyl-5-propylidenecyclohexane;(5E)-1-methyl-3-propyl-5-propylidenepiperidine

C26H49N — CID 54437464

IUPAC(5Z)-1,1-dimethyl-3-propyl-5-propylidenecyclohexane;(5E)-1-methyl-3-propyl-5-propylidenepiperidine
SMILESCC/C=C1/CC(CCC)CC(C)(C)C1.CC/C=C1\CC(CCC)CN(C)C1
InChIInChI=1S/C14H26.C12H23N/c1-5-7-12-9-13(8-6-2)11-14(3,4)10-12;1-4-6-11-8-12(7-5-2)10-13(3)9-11/h7,13H,5-6,8-11H2,1-4H3;6,12H,4-5,7-10H2,1-3H3/b12-7-;11-6+
InChIKeyWLSRSQLQHCYCLP-NMTRWRPBSA-N
MW375.69 g/mol
LogP8.02
Rot. Bonds6

About (5Z)-1,1-dimethyl-3-propyl-5-propylidenecyclohexane;(5E)-1-methyl-3-propyl-5-propylidenepiperidine

(5Z)-1,1-dimethyl-3-propyl-5-propylidenecyclohexane;(5E)-1-methyl-3-propyl-5-propylidenepiperidine (PubChem CID 54437464) has the molecular formula C26H49N and a molecular weight of 375.69 g/mol. Its IUPAC name is (5Z)-1,1-dimethyl-3-propyl-5-propylidenecyclohexane;(5E)-1-methyl-3-propyl-5-propylidenepiperidine.

Molecular Properties

Compound Name(5Z)-1,1-dimethyl-3-propyl-5-propylidenecyclohexane;(5E)-1-methyl-3-propyl-5-propylidenepiperidine
PubChem CID54437464
Molecular FormulaC26H49N
Molecular Weight375.69 g/mol
Exact Mass375.39
IUPAC Name(5Z)-1,1-dimethyl-3-propyl-5-propylidenecyclohexane;(5E)-1-methyl-3-propyl-5-propylidenepiperidine
SMILESCC/C=C1/CC(CCC)CC(C)(C)C1.CC/C=C1\CC(CCC)CN(C)C1
InChIInChI=1S/C14H26.C12H23N/c1-5-7-12-9-13(8-6-2)11-14(3,4)10-12;1-4-6-11-8-12(7-5-2)10-13(3)9-11/h7,13H,5-6,8-11H2,1-4H3;6,12H,4-5,7-10H2,1-3H3/b12-7-;11-6+
InChIKeyWLSRSQLQHCYCLP-NMTRWRPBSA-N
XLogP8.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.69
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-1,1-dimethyl-3-propyl-5-propylidenecyclohexane;(5E)-1-methyl-3-propyl-5-propylidenepiperidine?
The IUPAC name of (5Z)-1,1-dimethyl-3-propyl-5-propylidenecyclohexane;(5E)-1-methyl-3-propyl-5-propylidenepiperidine (CID 54437464) is (5Z)-1,1-dimethyl-3-propyl-5-propylidenecyclohexane;(5E)-1-methyl-3-propyl-5-propylidenepiperidine.
What is the SMILES notation for (5Z)-1,1-dimethyl-3-propyl-5-propylidenecyclohexane;(5E)-1-methyl-3-propyl-5-propylidenepiperidine?
The canonical SMILES for (5Z)-1,1-dimethyl-3-propyl-5-propylidenecyclohexane;(5E)-1-methyl-3-propyl-5-propylidenepiperidine is CC/C=C1/CC(CCC)CC(C)(C)C1.CC/C=C1\CC(CCC)CN(C)C1.
What is the InChIKey of (5Z)-1,1-dimethyl-3-propyl-5-propylidenecyclohexane;(5E)-1-methyl-3-propyl-5-propylidenepiperidine?
The InChIKey is WLSRSQLQHCYCLP-NMTRWRPBSA-N. The full InChI is InChI=1S/C14H26.C12H23N/c1-5-7-12-9-13(8-6-2)11-14(3,4)10-12;1-4-6-11-8-12(7-5-2)10-13(3)9-11/h7,13H,5-6,8-11H2,1-4H3;6,12H,4-5,7-10H2,1-3H3/b12-7-;11-6+.
What are the key properties of (5Z)-1,1-dimethyl-3-propyl-5-propylidenecyclohexane;(5E)-1-methyl-3-propyl-5-propylidenepiperidine?
(5Z)-1,1-dimethyl-3-propyl-5-propylidenecyclohexane;(5E)-1-methyl-3-propyl-5-propylidenepiperidine has a molecular weight of 375.69 g/mol, XLogP of 8.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1,1-dimethyl-3-propyl-5-propylidenecyclohexane;(5E)-1-methyl-3-propyl-5-propylidenepiperidine is sourced from PubChem (CID 54437464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).