1-[(5Z)-5-(2-cyclohexylethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine

C16H24N- — CID 137286778

IUPAC1-[(5Z)-5-(2-cyclohexylethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1=CC=C/C1=C/[CH-]C1CCCCC1
InChIInChI=1S/C16H24N/c1-17(2)13-16-10-6-9-15(16)12-11-14-7-4-3-5-8-14/h6,9-12,14H,3-5,7-8,13H2,1-2H3/q-1/b15-12-
InChIKeyGXNNYUKMGPLVRA-QINSGFPZSA-N
MW230.37 g/mol
LogP3.76
Rot. Bonds4

About 1-[(5Z)-5-(2-cyclohexylethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine

1-[(5Z)-5-(2-cyclohexylethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine (PubChem CID 137286778) has the molecular formula C16H24N- and a molecular weight of 230.37 g/mol. Its IUPAC name is 1-[(5Z)-5-(2-cyclohexylethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(5Z)-5-(2-cyclohexylethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine
PubChem CID137286778
Molecular FormulaC16H24N-
Molecular Weight230.37 g/mol
Exact Mass230.19
IUPAC Name1-[(5Z)-5-(2-cyclohexylethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1=CC=C/C1=C/[CH-]C1CCCCC1
InChIInChI=1S/C16H24N/c1-17(2)13-16-10-6-9-15(16)12-11-14-7-4-3-5-8-14/h6,9-12,14H,3-5,7-8,13H2,1-2H3/q-1/b15-12-
InChIKeyGXNNYUKMGPLVRA-QINSGFPZSA-N
XLogP3.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5Z)-5-(2-cyclohexylethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(5Z)-5-(2-cyclohexylethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine (CID 137286778) is 1-[(5Z)-5-(2-cyclohexylethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(5Z)-5-(2-cyclohexylethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(5Z)-5-(2-cyclohexylethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine is CN(C)CC1=CC=C/C1=C/[CH-]C1CCCCC1.
What is the InChIKey of 1-[(5Z)-5-(2-cyclohexylethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine?
The InChIKey is GXNNYUKMGPLVRA-QINSGFPZSA-N. The full InChI is InChI=1S/C16H24N/c1-17(2)13-16-10-6-9-15(16)12-11-14-7-4-3-5-8-14/h6,9-12,14H,3-5,7-8,13H2,1-2H3/q-1/b15-12-.
What are the key properties of 1-[(5Z)-5-(2-cyclohexylethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine?
1-[(5Z)-5-(2-cyclohexylethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine has a molecular weight of 230.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5Z)-5-(2-cyclohexylethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 137286778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).