(1R)-1-cyclohexyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine

C15H23N — CID 11031295

IUPAC(1R)-1-cyclohexyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine
SMILESC[C@H](C1CCCCC1)N(C)C=C1C=CC=C1
InChIInChI=1S/C15H23N/c1-13(15-10-4-3-5-11-15)16(2)12-14-8-6-7-9-14/h6-9,12-13,15H,3-5,10-11H2,1-2H3/t13-/m1/s1
InChIKeyGEOTYDYCNVYEJG-CYBMUJFWSA-N
MW217.36 g/mol
LogP3.90
Rot. Bonds3

About (1R)-1-cyclohexyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine

(1R)-1-cyclohexyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine (PubChem CID 11031295) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (1R)-1-cyclohexyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine.

Molecular Properties

Compound Name(1R)-1-cyclohexyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine
PubChem CID11031295
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(1R)-1-cyclohexyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine
SMILESC[C@H](C1CCCCC1)N(C)C=C1C=CC=C1
InChIInChI=1S/C15H23N/c1-13(15-10-4-3-5-11-15)16(2)12-14-8-6-7-9-14/h6-9,12-13,15H,3-5,10-11H2,1-2H3/t13-/m1/s1
InChIKeyGEOTYDYCNVYEJG-CYBMUJFWSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclohexyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine?
The IUPAC name of (1R)-1-cyclohexyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine (CID 11031295) is (1R)-1-cyclohexyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine.
What is the SMILES notation for (1R)-1-cyclohexyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine?
The canonical SMILES for (1R)-1-cyclohexyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine is C[C@H](C1CCCCC1)N(C)C=C1C=CC=C1.
What is the InChIKey of (1R)-1-cyclohexyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine?
The InChIKey is GEOTYDYCNVYEJG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N/c1-13(15-10-4-3-5-11-15)16(2)12-14-8-6-7-9-14/h6-9,12-13,15H,3-5,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-cyclohexyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine?
(1R)-1-cyclohexyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine has a molecular weight of 217.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclohexyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine is sourced from PubChem (CID 11031295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).