(1R)-N-benzyl-1-cyclohexa-1,5-dien-1-ylethanamine

C15H19N — CID 142348400

IUPAC(1R)-N-benzyl-1-cyclohexa-1,5-dien-1-ylethanamine
SMILESC[C@@H](NCc1ccccc1)C1=CCCC=C1
InChIInChI=1S/C15H19N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2,4-6,8-11,13,16H,3,7,12H2,1H3/t13-/m1/s1
InChIKeyTYTSQMGUSWLTOS-CYBMUJFWSA-N
MW213.32 g/mol
LogP3.44
Rot. Bonds4

About (1R)-N-benzyl-1-cyclohexa-1,5-dien-1-ylethanamine

(1R)-N-benzyl-1-cyclohexa-1,5-dien-1-ylethanamine (PubChem CID 142348400) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is (1R)-N-benzyl-1-cyclohexa-1,5-dien-1-ylethanamine.

Molecular Properties

Compound Name(1R)-N-benzyl-1-cyclohexa-1,5-dien-1-ylethanamine
PubChem CID142348400
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name(1R)-N-benzyl-1-cyclohexa-1,5-dien-1-ylethanamine
SMILESC[C@@H](NCc1ccccc1)C1=CCCC=C1
InChIInChI=1S/C15H19N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2,4-6,8-11,13,16H,3,7,12H2,1H3/t13-/m1/s1
InChIKeyTYTSQMGUSWLTOS-CYBMUJFWSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-cyclohexa-1,5-dien-1-yl-N-methylethanamine
CID 145106210
1-cyclohexa-1,5-dien-1-yl-N-methylethanamine
CID 142152612
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
N-benzyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43177533
1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane
CID 156726896
N-benzyl-1-cyclohexa-1,5-dien-1-ylmethanesulfonamide
CID 143113229
2-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]cyclohepta-1,3,5-triene;propane
CID 142964914
3-[benzyl(methyl)amino]-1-cyclohexa-1,5-dien-1-ylpropan-1-ol
CID 143394771
N-benzyl-1-silylethanamine
CID 173405128
N-benzyl-5-methylhexan-2-amine
CID 43177530
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167

Frequently Asked Questions

What is the IUPAC name of (1R)-N-benzyl-1-cyclohexa-1,5-dien-1-ylethanamine?
The IUPAC name of (1R)-N-benzyl-1-cyclohexa-1,5-dien-1-ylethanamine (CID 142348400) is (1R)-N-benzyl-1-cyclohexa-1,5-dien-1-ylethanamine.
What is the SMILES notation for (1R)-N-benzyl-1-cyclohexa-1,5-dien-1-ylethanamine?
The canonical SMILES for (1R)-N-benzyl-1-cyclohexa-1,5-dien-1-ylethanamine is C[C@@H](NCc1ccccc1)C1=CCCC=C1.
What is the InChIKey of (1R)-N-benzyl-1-cyclohexa-1,5-dien-1-ylethanamine?
The InChIKey is TYTSQMGUSWLTOS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2,4-6,8-11,13,16H,3,7,12H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-N-benzyl-1-cyclohexa-1,5-dien-1-ylethanamine?
(1R)-N-benzyl-1-cyclohexa-1,5-dien-1-ylethanamine has a molecular weight of 213.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-benzyl-1-cyclohexa-1,5-dien-1-ylethanamine is sourced from PubChem (CID 142348400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).