1,1,2-tricyclohexyl-2-cyclopent-3-en-1-ylidene-N,N-dimethylethanamine

C27H45N — CID 57192275

IUPAC1,1,2-tricyclohexyl-2-cyclopent-3-en-1-ylidene-N,N-dimethylethanamine
SMILESCN(C)C(C(=C1CC=CC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H45N/c1-28(2)27(24-18-8-4-9-19-24,25-20-10-5-11-21-25)26(23-16-12-13-17-23)22-14-6-3-7-15-22/h12-13,22,24-25H,3-11,14-21H2,1-2H3
InChIKeyTUOJWARYORUQSC-UHFFFAOYSA-N
MW383.66 g/mol
LogP7.67
Rot. Bonds5

About 1,1,2-tricyclohexyl-2-cyclopent-3-en-1-ylidene-N,N-dimethylethanamine

1,1,2-tricyclohexyl-2-cyclopent-3-en-1-ylidene-N,N-dimethylethanamine (PubChem CID 57192275) has the molecular formula C27H45N and a molecular weight of 383.66 g/mol. Its IUPAC name is 1,1,2-tricyclohexyl-2-cyclopent-3-en-1-ylidene-N,N-dimethylethanamine.

Molecular Properties

Compound Name1,1,2-tricyclohexyl-2-cyclopent-3-en-1-ylidene-N,N-dimethylethanamine
PubChem CID57192275
Molecular FormulaC27H45N
Molecular Weight383.66 g/mol
Exact Mass383.36
IUPAC Name1,1,2-tricyclohexyl-2-cyclopent-3-en-1-ylidene-N,N-dimethylethanamine
SMILESCN(C)C(C(=C1CC=CC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H45N/c1-28(2)27(24-18-8-4-9-19-24,25-20-10-5-11-21-25)26(23-16-12-13-17-23)22-14-6-3-7-15-22/h12-13,22,24-25H,3-11,14-21H2,1-2H3
InChIKeyTUOJWARYORUQSC-UHFFFAOYSA-N
XLogP7.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.66
LogP ≤ 57.67
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 1,1,2-tricyclohexyl-2-cyclopent-3-en-1-ylidene-N,N-dimethylethanamine?
The IUPAC name of 1,1,2-tricyclohexyl-2-cyclopent-3-en-1-ylidene-N,N-dimethylethanamine (CID 57192275) is 1,1,2-tricyclohexyl-2-cyclopent-3-en-1-ylidene-N,N-dimethylethanamine.
What is the SMILES notation for 1,1,2-tricyclohexyl-2-cyclopent-3-en-1-ylidene-N,N-dimethylethanamine?
The canonical SMILES for 1,1,2-tricyclohexyl-2-cyclopent-3-en-1-ylidene-N,N-dimethylethanamine is CN(C)C(C(=C1CC=CC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1,2-tricyclohexyl-2-cyclopent-3-en-1-ylidene-N,N-dimethylethanamine?
The InChIKey is TUOJWARYORUQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H45N/c1-28(2)27(24-18-8-4-9-19-24,25-20-10-5-11-21-25)26(23-16-12-13-17-23)22-14-6-3-7-15-22/h12-13,22,24-25H,3-11,14-21H2,1-2H3.
What are the key properties of 1,1,2-tricyclohexyl-2-cyclopent-3-en-1-ylidene-N,N-dimethylethanamine?
1,1,2-tricyclohexyl-2-cyclopent-3-en-1-ylidene-N,N-dimethylethanamine has a molecular weight of 383.66 g/mol, XLogP of 7.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tricyclohexyl-2-cyclopent-3-en-1-ylidene-N,N-dimethylethanamine is sourced from PubChem (CID 57192275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).